SCHEMBL2117624

SCHEMBL2117624

COC(=O)c1ccc2c(=O)n(-c3ccccc3)c(NCc3ccc(Cl)cc3)nc2c1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.57
TBXA2R P21731 2/20 0.57
ALDH1A1 P00352 5/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
LMNA P02545 2/20 0.54
MAPT P10636 1/20 0.54
KDM4E B2RXH2 1/20 0.50
F2 P00734 1/20 0.50
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
HPGD P15428 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
HSD17B10 Q99714 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
POLB P06746 1/20 0.48
CCKBR P32239 1/20 0.48
MAPK8 P45983 4/20 0.46
MAT2A P31153 1/20 0.44
CYP3A4 P08684 1/20 0.43

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
SCHEMBL2117474 0.95 DRD2 (0.55) DRD2TBXA2RALDH1A1SMN1; SMN2LMNA
SCHEMBL2115740 0.88 DRD2 (0.66) DRD2TBXA2RALDH1A1SMN1; SMN2LMNA
SCHEMBL2119872 0.88 HDAC8 (0.46) DRD2TBXA2RMEN1KMT2AMAT2A
SCHEMBL2117975 0.85 DRD2 (0.57) DRD2TBXA2RSMN1; SMN2F2KMT2A
SCHEMBL2119765 0.82 HDAC8 (0.48) DRD2TBXA2RMAPTPOLB
SCHEMBL2119910 0.81 ALDH1A1 (0.62) ALDH1A1SMN1; SMN2LMNAMAPTKDM4E
SCHEMBL2120797 0.78 POLB (0.53) ALDH1A1SMN1; SMN2LMNAMAPTKDM4E
SCHEMBL25244656 0.76 DRD2 (0.53) DRD2TBXA2RALDH1A1MAPTKDM4E
SCHEMBL2116013 0.75 HDAC6 (0.55) DRD2TBXA2RSMN1; SMN2LMNAMAPT
SCHEMBL31542082 0.75 POLB (0.63) DRD2TBXA2RALDH1A1SMN1; SMN2MEN1

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 DRD2 4431/4885TBXA2R 1716/4885ALDH1A1 298/4885
US-20160039789-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, HDAC5 DRD2 4431/4885TBXA2R 1716/4885ALDH1A1 298/4885

“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.