SCHEMBL2118635

SCHEMBL2118635

COC(=O)c1ccc2ccn(-c3ccc(OC)cc3)c(=O)c2c1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.55
KDM4E B2RXH2 2/20 0.55
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
MAPT P10636 3/20 0.47
LMNA P02545 1/20 0.45
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
POLB P06746 2/20 0.45
HSD17B10 Q99714 1/20 0.43
NPBWR1 P48145 1/20 0.43
THRB P10828 1/20 0.41
PTK2 Q05397 1/20 0.41
CYP2C9 P11712 1/20 0.40
ESRRA P11474 1/20 0.40

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
SCHEMBL2118330 0.88 HDAC6 (0.53) ALDH1A1KDM4ECA1CA2MAPT
SCHEMBL14158066 0.85 ALDH1A1 (0.52) ALDH1A1KDM4ECA1CA2MAPT
SCHEMBL28580365 0.79 GABRA1 (0.47) ALDH1A1MAPTLMNATHRB
SCHEMBL30035412 0.79 GABRA1 (0.47) ALDH1A1MAPTLMNATHRB
SCHEMBL2120728 0.78 MAPK1 (0.53) ALDH1A1KDM4ECA1CA2MAPT
SCHEMBL17313482 0.78 MEN1 (0.51) ALDH1A1KDM4EMAPTKMT2AMEN1
SCHEMBL21224434 0.77 LCK (0.47) ALDH1A1KDM4ECA1CA2MAPT
SCHEMBL2116182 0.77 MCL1 (0.53) ALDH1A1KDM4ECA1CA2MAPT
SCHEMBL2118546 0.76 TRPV1 (0.46) ALDH1A1KDM4ECA1CA2MAPT
SCHEMBL30034874 0.76 MAPT (0.55) ALDH1A1KDM4EMAPTLMNAKMT2A

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 298/4885KDM4E 769/4885CA1 200/4885
US-20160039789-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, HDAC5 ALDH1A1 298/4885KDM4E 769/4885CA1 200/4885

“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.