SCHEMBL12470556

SCHEMBL12470556

COC(=O)CCCSc1ccccc1OC

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.61
MTNR1B P49286 1/20 0.61
PTGS2 P35354 11/20 0.52
ALDH1A1 P00352 2/20 0.48
MEN1 O00255 1/20 0.48
RAB9A P51151 1/20 0.48
KMT2A Q03164 1/20 0.48
POLB P06746 2/20 0.48
BRD4 O60885 1/20 0.46
LMNA P02545 2/20 0.44
CASP3 P42574 1/20 0.44
SENP8 Q96LD8 1/20 0.44
SENP7 Q9BQF6 1/20 0.44
SENP6 Q9GZR1 1/20 0.44
TSHR P16473 1/20 0.43

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
SCHEMBL20545058 0.94 MTNR1A (0.58) MTNR1AMTNR1BPTGS2ALDH1A1MEN1
SCHEMBL11603765 0.86 PTGS2 (0.66) MTNR1AMTNR1BPTGS2ALDH1A1POLB
SCHEMBL12470749 0.83 RAB9A (0.51) MTNR1AMTNR1BPTGS2ALDH1A1MEN1
SCHEMBL23406192 0.82 ALDH1A1 (0.48) MTNR1AMTNR1BPTGS2ALDH1A1MEN1
SCHEMBL12471414 0.82 RAB9A (0.48) MTNR1AMTNR1BPTGS2ALDH1A1MEN1
SCHEMBL13668910 0.82 MTNR1A (0.61) MTNR1AMTNR1BPTGS2ALDH1A1POLB
SCHEMBL4413192 0.82 PTGS2 (0.72) MTNR1AMTNR1BPTGS2ALDH1A1POLB
SCHEMBL7471148 0.81 HSD17B10 (0.68) ALDH1A1MEN1RAB9AKMT2APOLB
SCHEMBL4410750 0.81 PTGS2 (0.75) MTNR1AMTNR1BPTGS2ALDH1A1POLB
SCHEMBL4273970 0.81 PTGS2 (0.75) MTNR1AMTNR1BPTGS2ALDH1A1POLB

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-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
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

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

For each of this compound's patents that has machine-readable text (7 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-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 MTNR1A 2357/4885MTNR1B 2027/4885PTGS2 1823/4885
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 MTNR1A 2357/4885MTNR1B 2027/4885PTGS2 1823/4885
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 MTNR1A 2357/4885MTNR1B 2027/4885PTGS2 1823/4885
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 MTNR1A 2357/4885MTNR1B 2027/4885PTGS2 1823/4885
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 MTNR1A 2357/4885MTNR1B 2027/4885PTGS2 1823/4885
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 MTNR1A 2357/4885MTNR1B 2027/4885PTGS2 1823/4885
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 MTNR1A 2357/4885MTNR1B 2027/4885PTGS2 1823/4885

“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.