SCHEMBL2118602

SCHEMBL2118602

COC(=O)c1ccc2c(=O)n(Cc3ccccc3)c(Cl)nc2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.55
HSD17B10 Q99714 2/20 0.55
KDM4E B2RXH2 1/20 0.55
TSHR P16473 1/20 0.55
CFTR P13569 2/20 0.53
MAPK8 P45983 4/20 0.53
LMNA P02545 2/20 0.51
TP53 P04637 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.50
MAPT P10636 2/20 0.50
MEN1 O00255 2/20 0.50
HPGD P15428 2/20 0.50
KMT2A Q03164 2/20 0.50
HTT P42858 1/20 0.50
ATM Q13315 1/20 0.49
TLR7 Q9NYK1 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
MAPK10 P53779 1/20 0.49
DRD2 P14416 1/20 0.48

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
SCHEMBL2115740 0.84 DRD2 (0.66) ALDH1A1HSD17B10KDM4ETSHRCFTR
SCHEMBL2119910 0.81 ALDH1A1 (0.62) ALDH1A1HSD17B10KDM4ETSHRLMNA
SCHEMBL9950083 0.80 CFTR (0.61) ALDH1A1KDM4ECFTRMAPTTDP1
SCHEMBL2117475 0.79 ALDH1A1 (0.54) ALDH1A1HSD17B10KDM4ETSHRLMNA
SCHEMBL25285817 0.78 TLR7 (0.48) ALDH1A1HSD17B10KDM4ETSHRLMNA
SCHEMBL2118623 0.77 ALDH1A1 (0.69) ALDH1A1HSD17B10KDM4ETSHRLMNA
SCHEMBL25251670 0.75 KDM4E (0.52) ALDH1A1HSD17B10KDM4ELMNASMN1; SMN2
SCHEMBL13767440 0.75 ALDH1A1 (0.55) ALDH1A1TSHRCFTRSMN1; SMN2MAPT
SCHEMBL29893730 0.75 CA1 (0.51) ALDH1A1KDM4ETLR7DRD2TBXA2R
SCHEMBL23997462 0.75 DRD2 (0.75) CFTRLMNATP53MAPTDRD2

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

“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.