SCHEMBL660789

SCHEMBL660789

O=NC(=O)CCCc1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 7/20 0.64
HDAC2 Q92769 4/20 0.64
HDAC3 O15379 3/20 0.64
HDAC8 Q9BY41 3/20 0.64
HDAC6 Q9UBN7 3/20 0.64
HDAC5 Q9UQL6 3/20 0.64
HDAC4 P56524 2/20 0.64
HDAC7 Q8WUI4 2/20 0.64
HDAC10 Q969S8 2/20 0.64
HDAC11 Q96DB2 2/20 0.64
HDAC9 Q9UKV0 2/20 0.64
MAPK1 P28482 1/20 0.64
ADRA1A P35348 1/20 0.64
SLC6A3 Q01959 1/20 0.64
SMN1; SMN2 Q16637 1/20 0.64
TDP1 Q9NUW8 2/20 0.58
NPC1 O15118 1/20 0.58
CASP3 P42574 1/20 0.58
RAB9A P51151 1/20 0.58
SENP8 Q96LD8 1/20 0.58

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
SCHEMBL16751107 0.94 MAPT (0.63) HDAC1HDAC2HDAC3HDAC8HDAC6
SCHEMBL16519727 0.88 KEAP1 (0.61) HDAC1HDAC2HDAC3HDAC8HDAC6
SCHEMBL8012738 0.81 HDAC1 (0.60) HDAC1HDAC2HDAC3HDAC8HDAC6
SCHEMBL16314635 0.81 PLAAT3 (0.48) HDAC1HDAC2HDAC3HDAC8HDAC6
SCHEMBL12809927 0.81 MAOB (0.47) HDAC1HDAC2HDAC3HDAC8HDAC6
SCHEMBL12086492 0.81 HSD17B10 (0.43) HDAC1HDAC2HDAC3HDAC8HDAC6
SCHEMBL14435835 0.81 HDAC1 (0.53) HDAC1HDAC2HDAC3HDAC8HDAC6
SCHEMBL8012061 0.81 HDAC1 (0.60) HDAC1HDAC2HDAC3HDAC8HDAC6
SCHEMBL6160325 0.79 HDAC1 (0.58) HDAC1HDAC2HDAC3HDAC8HDAC6
SCHEMBL8009209 0.79 HDAC1 (0.58) HDAC1HDAC2HDAC3HDAC8HDAC6

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 8 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-20190194202-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CHEMICAL WARFARE AGENT-INDUCED INJURIES ELI LILLY AND COMPANY 2019-06-27 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
EP-3199203-A1 SUBSTITUED XANTHINE DERIVATIVES Concert Pharmaceuticals Inc. (US) 2017-08-02 EP disclosed
US-20130059869-A1 METHODS AND COMPOSITIONS FOR TREATING DISORDERS HYDRA BIOSCIENCES, INC. 2013-03-07 US 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 (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-10703754-B2 Compounds and compositions for treating chemical warfare agent-induced injuries ELANE, CASP3, MMP8 HDAC1 1398/4885HDAC2 1799/4885HDAC3 787/4885
US-20180133170-A1 METHODS AND COMPOSITIONS FOR TREATING DISORDERS TRPA1, TRPV1, TRPV3 HDAC1 1782/4885HDAC2 1512/4885HDAC3 1084/4885
US-20180265511-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CHEMICAL WARFARE AGENT-INDUCED INJURIES ELANE, CASP3, MMP8 HDAC1 1398/4885HDAC2 1799/4885HDAC3 787/4885
US-20090143377-A1 METHODS AND COMPOSITIONS FOR TREATING DISORDERS TRPA1, TRPV1, TRPV3 HDAC1 1782/4885HDAC2 1512/4885HDAC3 1084/4885
US-20120046305-A1 METHODS AND COMPOSITIONS FOR TREATING RESPIRATORY DISORDERS TRPA1, TRPV1, TRPV3 HDAC1 2547/4885HDAC2 1526/4885HDAC3 1349/4885
US-20190194202-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CHEMICAL WARFARE AGENT-INDUCED INJURIES ELANE, CASP3, MMP8 HDAC1 1398/4885HDAC2 1799/4885HDAC3 787/4885
US-20130059869-A1 METHODS AND COMPOSITIONS FOR TREATING DISORDERS TRPA1, TRPV1, TRPV3 HDAC1 1782/4885HDAC2 1512/4885HDAC3 1084/4885

“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.