SCHEMBL2115751

SCHEMBL2115751

COC(=O)c1ccc2c(=O)n(-c3ccccc3)c(=O)[nH]c2c1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.78
KMT2A Q03164 5/20 0.78
SMN1; SMN2 Q16637 5/20 0.78
MEN1 O00255 3/20 0.78
RXFP1 Q9HBX9 3/20 0.64
HSD17B10 Q99714 4/20 0.63
HPGD P15428 4/20 0.63
GAA P10253 4/20 0.63
LMNA P02545 3/20 0.63
GLA P06280 2/20 0.63
KDM4E B2RXH2 5/20 0.60
TP53 P04637 2/20 0.59
MAPT P10636 1/20 0.59
PKM P14618 1/20 0.59
HTT P42858 1/20 0.59
USP2 O75604 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
KIF11 P52732 1/20 0.58
PARP1 P09874 1/20 0.57
NPC1 O15118 1/20 0.56

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 0.92 ALDH1A1 (0.67) ALDH1A1KMT2ASMN1; SMN2MEN1RXFP1
SCHEMBL4254796 0.88 ALDH1A1 (0.79) ALDH1A1KMT2ASMN1; SMN2MEN1HSD17B10
SCHEMBL4253105 0.88 ALDH1A1 (0.62) ALDH1A1KMT2ASMN1; SMN2MEN1RXFP1
SCHEMBL2117997 0.88 ALDH1A1 (0.62) ALDH1A1KMT2ASMN1; SMN2MEN1RXFP1
SCHEMBL5469005 0.84 KDM4E (0.61) ALDH1A1KMT2ASMN1; SMN2MEN1HSD17B10
SCHEMBL4550115 0.84 RXFP1 (0.69) ALDH1A1KMT2ASMN1; SMN2MEN1RXFP1
SCHEMBL2118623 0.81 ALDH1A1 (0.69) ALDH1A1KMT2ASMN1; SMN2MEN1HSD17B10
SCHEMBL30183620 0.80 ALDH1A1 (0.69) ALDH1A1KMT2ASMN1; SMN2MEN1HSD17B10
SCHEMBL2117984 0.80 ALDH1A1 (0.69) ALDH1A1KMT2ASMN1; SMN2MEN1HSD17B10
SCHEMBL5011466 0.80 KDM4E (0.62) ALDH1A1KMT2ASMN1; SMN2MEN1RXFP1

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.