SCHEMBL2117997

SCHEMBL2117997

COC(=O)c1ccc2c(=O)n(-c3ccc(Cl)cc3)c(=O)[nH]c2c1

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.62
KMT2A Q03164 5/20 0.61
SMN1; SMN2 Q16637 4/20 0.61
MEN1 O00255 3/20 0.61
TP53 P04637 4/20 0.59
KDM4E B2RXH2 4/20 0.57
GAA P10253 3/20 0.57
HPGD P15428 2/20 0.57
HSD17B10 Q99714 2/20 0.57
PKM P14618 2/20 0.57
GLA P06280 1/20 0.57
HTT P42858 1/20 0.57
MAPT P10636 4/20 0.56
NPC1 O15118 1/20 0.51
POLB P06746 1/20 0.51
RXFP1 Q9HBX9 1/20 0.51
HTR3A P46098 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
SCHEMBL11798445 0.93 ALDH1A1 (0.67) ALDH1A1KMT2ASMN1; SMN2MEN1TP53
SCHEMBL4254796 0.88 ALDH1A1 (0.79) ALDH1A1KMT2ASMN1; SMN2MEN1TP53
SCHEMBL4253105 0.88 ALDH1A1 (0.62) ALDH1A1KMT2ASMN1; SMN2MEN1TP53
SCHEMBL2115751 0.88 ALDH1A1 (0.78) ALDH1A1KMT2ASMN1; SMN2MEN1TP53
SCHEMBL2118590 0.84 TP53 (0.57) ALDH1A1KMT2ASMN1; SMN2MEN1TP53
SCHEMBL4252121 0.81 MAPT (0.68) ALDH1A1KMT2ASMN1; SMN2MEN1TP53
SCHEMBL1663516 0.80 CA9 (0.55) ALDH1A1KMT2ASMN1; SMN2MEN1TP53
SCHEMBL11854523 0.80 SMN1; SMN2 (0.78) ALDH1A1KMT2ASMN1; SMN2MEN1TP53
SCHEMBL2117984 0.78 ALDH1A1 (0.69) ALDH1A1KMT2ASMN1; SMN2MEN1KDM4E
SCHEMBL30183620 0.78 ALDH1A1 (0.69) ALDH1A1KMT2ASMN1; SMN2MEN1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160039789-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. 2016-02-11 US disclosed
US-20160039789-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. 2016-02-11 US disclosed
US-20160039789-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. 2016-02-11 US disclosed
US-8765773-B2 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-07-01 US disclosed
US-8765773-B2 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-07-01 US disclosed
US-8765773-B2 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-07-01 US disclosed
WO-2012054332-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-04-26 WO disclosed
WO-2012054332-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-04-26 WO disclosed
US-20120094997-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-04-19 US disclosed
US-20120094997-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-04-19 US disclosed
US-20120094997-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-04-19 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 (2 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-20120094997-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, HDAC5 ALDH1A1 298/4885KMT2A 35/4885SMN1; SMN2 848/4885
US-20160039789-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, HDAC5 ALDH1A1 298/4885KMT2A 35/4885SMN1; SMN2 848/4885

“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.