SCHEMBL2115896

SCHEMBL2115896

COC(=O)c1ccc2[nH]c(=O)n(C)c(=O)c2c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.58
ALDH1A1 P00352 6/20 0.58
HSD17B10 Q99714 5/20 0.58
HPGD P15428 4/20 0.58
KMT2A Q03164 6/20 0.55
GAA P10253 2/20 0.55
PKM P14618 2/20 0.55
GLA P06280 1/20 0.55
HTT P42858 1/20 0.55
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
MEN1 O00255 5/20 0.51
KIF11 P52732 2/20 0.50
ATM Q13315 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
ADORA3 P0DMS8 1/20 0.50
ADORA2A P29274 1/20 0.50
ADORA2B P29275 1/20 0.50
ADORA1 P30542 1/20 0.50
PARG Q86W56 1/20 0.49

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
SCHEMBL30183620 0.89 ALDH1A1 (0.69) KDM4EALDH1A1HSD17B10HPGDKMT2A
SCHEMBL2117984 0.89 ALDH1A1 (0.69) KDM4EALDH1A1HSD17B10HPGDKMT2A
SCHEMBL2116094 0.83 HTR3A (0.50) KDM4EALDH1A1HSD17B10HPGDKMT2A
SCHEMBL1759187 0.82 CREBBP (0.51) KDM4EALDH1A1HSD17B10HPGDKMT2A
SCHEMBL31393152 0.82 RAB9A (0.55) KDM4EALDH1A1HSD17B10HPGDKMT2A
SCHEMBL28063129 0.80 KIF11 (0.70) KDM4EALDH1A1HSD17B10HPGDKMT2A
SCHEMBL4550112 0.80 HTR3A (0.47) KDM4EALDH1A1HSD17B10HPGDKMT2A
SCHEMBL4254017 0.79 KDM4E (0.54) KDM4EALDH1A1HSD17B10HPGDKMT2A
SCHEMBL7191192 0.79 ALDH1A1 (0.60) KDM4EALDH1A1HSD17B10HPGDKMT2A
SCHEMBL9760930 0.79 ADORA3 (0.56) KDM4EALDH1A1HSD17B10HPGDGLA

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 KDM4E 769/4885ALDH1A1 298/4885HSD17B10 401/4885
US-20160039789-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, HDAC5 KDM4E 769/4885ALDH1A1 298/4885HSD17B10 401/4885

“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.