SCHEMBL660739

SCHEMBL660739

NC(=O)CCCSc1ccc(Cl)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.62
HTT P42858 1/20 0.62
HDAC3 O15379 1/20 0.59
HDAC4 P56524 1/20 0.59
HDAC1 Q13547 1/20 0.59
HDAC7 Q8WUI4 1/20 0.59
HDAC2 Q92769 1/20 0.59
HDAC10 Q969S8 1/20 0.59
HDAC11 Q96DB2 1/20 0.59
HDAC8 Q9BY41 1/20 0.59
HDAC6 Q9UBN7 1/20 0.59
HDAC9 Q9UKV0 1/20 0.59
HDAC5 Q9UQL6 1/20 0.59
RAB9A P51151 2/20 0.56
KMT2A Q03164 2/20 0.56
MEN1 O00255 1/20 0.56
TEAD1 P28347 1/20 0.51
YAP1 P46937 1/20 0.51
TEAD4 Q15561 1/20 0.51
TEAD2 Q15562 1/20 0.51

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL414617 0.85 ALDH1A1 (0.70) PKMHTTHDAC3HDAC4HDAC1
SCHEMBL11662096 0.82 HDAC3 (0.56) PKMHTTHDAC3HDAC4HDAC1
SCHEMBL3959624 0.81 ALDH1A1 (0.75) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL21102154 0.81 HDAC3 (0.55) PKMHTTHDAC3HDAC4HDAC1
SCHEMBL11620143 0.81 HDAC3 (0.88) HTTHDAC3HDAC4HDAC1HDAC7
SCHEMBL4427048 0.80 HDAC3 (0.67) PKMHTTHDAC3HDAC4HDAC1
SCHEMBL7521132 0.80 HDAC3 (0.54) PKMHTTHDAC3HDAC4HDAC1
SCHEMBL10494875 0.80 HDAC3 (0.66) HTTHDAC3HDAC4HDAC1HDAC7
SCHEMBL12470682 0.80 HDAC3 (0.57) PKMHTTHDAC3HDAC4HDAC1
Hydrochloric Acid SCHEMBL11618762 0.80 HDAC3 (0.47) PKMHTTHDAC3HDAC4HDAC1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10703754-B2 Compounds and compositions for treating chemical warfare agent-induced injuries ELI LILLY AND COMPANY (US) 2020-07-07 US disclosed
US-20200207691-A1 Class of HDAC Inhibitors Expands the Renal Progenitor Cells Population and Improves the Rate of Recovery from Acute Kidney Injury UNIVERSITY OF PITTSBURGH - OF T 2020-07-02 US disclosed
US-10626071-B2 Class of HDAC inhibitors expands the renal progenitor cells population and improves the rate of recovery from acute kidney injury University of Pittsburgh—of the Commonwealth System of Higher Education (US) 2020-04-21 US disclosed
US-20190194202-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CHEMICAL WARFARE AGENT-INDUCED INJURIES ELI LILLY AND COMPANY 2019-06-27 US disclosed
US-10233201-B2 Class of HDAC inhibitors expands the renal progenitor cells population and improves the rate of recovery from acute kidney injury University of Pittsburg—Of the Commonwealth System of Higher Education (US) 2019-03-19 US disclosed
US-10160705-B2 Class of HDAC inhibitors expands the renal progenitor cells population and improves the rate of recovery from acute kidney injury University of Pittsburgh—of the Commonwealth System of Higher Education (US) 2018-12-25 US disclosed
US-20180312455-A1 Class of HDAC Inhibitors Expands the Renal Progenitor Cells Population and Improves the Rate of Recovery from Acute Kidney Injury UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION 2018-11-01 US disclosed
US-20180265511-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CHEMICAL WARFARE AGENT-INDUCED INJURIES ELI LILLY AND COMPANY 2018-09-20 US disclosed
US-20180133170-A1 METHODS AND COMPOSITIONS FOR TREATING DISORDERS ELI LILLY AND COMPANY 2018-05-17 US disclosed
US-20170320898-A1 Class of HDAC Inhibitors Expands the Renal Progenitor Cells Population and Improves the Rate of Recovery from Acute Kidney Injury UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION 2017-11-09 US disclosed
US-9670236-B2 Class of HDAC inhibitors expands the renal progenitor cells population and improves the rate of recovery from acute kidney injury University of Pittsburgh—of the Commonwealth System of Higher Education (US) 2017-06-06 US disclosed
CN-106687140-A Use of cysteamine in treating infections caused by yeasts/moulds 诺瓦生命科学有限公司 2017-05-17 CN disclosed
US-20150246939-A1 Class of HDAC Inhibitors Expands the Renal Progenitor Cells Population and Improves the Rate of Recovery from Acute Kidney Injury UNIVERSITY OF PITTSBURGH-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION 2015-09-03 US disclosed
WO-2014071000-A1 CLASS OF HDAC INHIBITORS EXPANDS THE RENAL PROGENITOR CELLS POPULATION AND IMPROVES THE RATE OF RECOVERY FROM ACUTE KIDNEY INJURY UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2014-05-08 WO disclosed
WO-2012109527-A2 CLASS OF HDAC INHIBITORS EXPANDS THE RENAL PROGENITOR CELLS POPULATION AND IMPROVES THE RATE OF RECOVERY FROM ACUTE KIDNEY INJURY UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2012-08-16 WO disclosed
US-20120046305-A1 METHODS AND COMPOSITIONS FOR TREATING RESPIRATORY DISORDERS ELI LILLY AND COMPANY 2012-02-23 US disclosed
US-20090143377-A1 METHODS AND COMPOSITIONS FOR TREATING DISORDERS ELI LILLY AND COMPANY 2009-06-04 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (13 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-10703754-B2 Compounds and compositions for treating chemical warfare agent-induced injuries ELANE, CASP3, MMP8 PKM 3563/4885HTT 4377/4885HDAC3 787/4885
US-10233201-B2 Class of HDAC inhibitors expands the renal progenitor cells population and improves the rate of recovery from acute kidney injury HDAC1, HDAC9, HDAC11 PKM 1775/4885HTT 1865/4885HDAC3 9/4885
US-10160705-B2 Class of HDAC inhibitors expands the renal progenitor cells population and improves the rate of recovery from acute kidney injury HDAC1, HDAC9, HDAC11 PKM 1775/4885HTT 1865/4885HDAC3 9/4885
US-20180133170-A1 METHODS AND COMPOSITIONS FOR TREATING DISORDERS TRPA1, TRPV1, TRPV3 PKM 1876/4885HTT 160/4885HDAC3 1084/4885
US-20180265511-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CHEMICAL WARFARE AGENT-INDUCED INJURIES ELANE, CASP3, MMP8 PKM 3563/4885HTT 4377/4885HDAC3 787/4885
US-20090143377-A1 METHODS AND COMPOSITIONS FOR TREATING DISORDERS TRPA1, TRPV1, TRPV3 PKM 1876/4885HTT 160/4885HDAC3 1084/4885
US-20120046305-A1 METHODS AND COMPOSITIONS FOR TREATING RESPIRATORY DISORDERS TRPA1, TRPV1, TRPV3 PKM 1467/4885HTT 1239/4885HDAC3 1349/4885
US-10626071-B2 Class of HDAC inhibitors expands the renal progenitor cells population and improves the rate of recovery from acute kidney injury HDAC1, HDAC9, HDAC11 PKM 1775/4885HTT 1865/4885HDAC3 9/4885
US-20180312455-A1 Class of HDAC Inhibitors Expands the Renal Progenitor Cells Population and Improves the Rate of Recovery from Acute Kidney Injury HDAC1, HDAC9, HDAC11 PKM 1775/4885HTT 1865/4885HDAC3 9/4885
US-20190194202-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CHEMICAL WARFARE AGENT-INDUCED INJURIES ELANE, CASP3, MMP8 PKM 3563/4885HTT 4377/4885HDAC3 787/4885
US-20200207691-A1 Class of HDAC Inhibitors Expands the Renal Progenitor Cells Population and Improves the Rate of Recovery from Acute Kidney Injury HDAC1, HDAC9, HDAC11 PKM 1775/4885HTT 1865/4885HDAC3 9/4885
US-20150246939-A1 Class of HDAC Inhibitors Expands the Renal Progenitor Cells Population and Improves the Rate of Recovery from Acute Kidney Injury HDAC1, HDAC9, HDAC11 PKM 1775/4885HTT 1865/4885HDAC3 9/4885
US-20170320898-A1 Class of HDAC Inhibitors Expands the Renal Progenitor Cells Population and Improves the Rate of Recovery from Acute Kidney Injury HDAC1, HDAC9, HDAC11 PKM 1775/4885HTT 1865/4885HDAC3 9/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.