SCHEMBL2120797

SCHEMBL2120797

COC(=O)c1ccc2c(=O)n(-c3ccc(Cl)cc3)c(Cl)nc2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.53
ALDH1A1 P00352 8/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
LMNA P02545 2/20 0.52
MAPT P10636 2/20 0.52
CSNK2A2 P19784 1/20 0.50
CSNK2B P67870 1/20 0.50
KDM4E B2RXH2 2/20 0.49
HSD17B10 Q99714 2/20 0.49
TSHR P16473 2/20 0.49
CSNK2A1 P68400 1/20 0.46
PDE10A Q9Y233 1/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
USP14 P54578 1/20 0.45
RXFP1 Q9HBX9 1/20 0.44
HPGD P15428 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
ALOX15 P16050 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
SCHEMBL12468498 0.91 POLB (0.51) POLBALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL2119910 0.91 ALDH1A1 (0.62) POLBALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL2117474 0.83 DRD2 (0.55) POLBALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL2117475 0.81 ALDH1A1 (0.54) POLBALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL1663688 0.80 SMN1; SMN2 (0.54) ALDH1A1SMN1; SMN2LMNAMAPTTSHR
SCHEMBL9953877 0.79 POLB (0.54) POLBALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL2117624 0.78 DRD2 (0.57) POLBALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL12681813 0.78 POLB (0.67) POLBALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL15179142 0.77 L3MBTL1 (0.44) POLBALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL2117997 0.76 ALDH1A1 (0.62) POLBALDH1A1SMN1; SMN2MAPTKDM4E

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 POLB 578/4885ALDH1A1 298/4885SMN1; SMN2 848/4885
US-20160039789-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, HDAC5 POLB 578/4885ALDH1A1 298/4885SMN1; 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.