SCHEMBL266795

SCHEMBL266795

Cc1ccc(=O)n(Cc2c(Cl)cccc2Cl)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 3/20 0.58
POLB P06746 2/20 0.58
ALDH1A1 P00352 8/20 0.57
KDM4E B2RXH2 7/20 0.57
CYP2C9 P11712 2/20 0.57
CYP2C19 P33261 2/20 0.57
CYP3A4 P08684 1/20 0.57
HPGD P15428 5/20 0.50
PKM P14618 3/20 0.48
CYP1A2 P05177 2/20 0.48
CYP2D6 P10635 1/20 0.48
MAPT P10636 3/20 0.47
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
BLM P54132 1/20 0.42
HSD17B10 Q99714 1/20 0.42
LMNA P02545 1/20 0.42
SLC22A12 Q96S37 1/20 0.41
GAA P10253 1/20 0.41

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
SCHEMBL266595 0.77 BRD4 (0.56) POLBALDH1A1KDM4EHPGDCYP1A2
SCHEMBL8276902 0.76 ALDH1A1 (0.55) POLBALDH1A1KDM4EHPGDMAPT
SCHEMBL6115673 0.76 CYP2C9 (0.59) NPSR1POLBALDH1A1KDM4ECYP2C9
SCHEMBL4481461 0.76 ALDH1A1 (0.56) NPSR1POLBALDH1A1KDM4ECYP2C9
SCHEMBL3305331 0.74 ALDH1A1 (0.55) NPSR1POLBALDH1A1KDM4ECYP2C9
SCHEMBL27383533 0.73 MAPT (0.54) POLBALDH1A1KDM4ECYP2C9CYP2C19
SCHEMBL22510482 0.72 POLB (0.50) POLBALDH1A1KDM4ECYP2C9CYP2C19
SCHEMBL8276879 0.71 ALDH1A1 (0.49) POLBALDH1A1KDM4ECYP2C9CYP2C19
SCHEMBL29348733 0.71 MAPT (0.49) POLBALDH1A1KDM4ECYP2C9CYP2C19
SCHEMBL8276897 0.71 MEN1 (0.50) POLBALDH1A1KDM4EMAPTMEN1

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8629126-B2 Quinolone derivative or pharmaceutically acceptable salt thereof ASTELLAS PHARMA INC. (JP) 2014-01-14 US disclosed
US-8629126-B2 Quinolone derivative or pharmaceutically acceptable salt thereof ASTELLAS PHARMA INC. (JP) 2014-01-14 US disclosed
US-8377932-B2 Preparation of 1-(substituted benzyl)-5-trifluoromethyl-2(1H)pyridone compounds and salts thereof and their applications CENTRAL SOUTH UNIVERSITY (CN) 2013-02-19 US disclosed
US-20120136025-A1 QUINOLONE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF ASTELLAS PHARMA INC. (JP) 2012-05-31 US disclosed
US-20120136025-A1 QUINOLONE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF ASTELLAS PHARMA INC. (JP) 2012-05-31 US disclosed
US-20120129859-A1 PREPARATION OF 1-(SUBSTITUTED BENZYL)-5-TRIFLUOROMETHYL-2(1H)PYRIDONE COMPOUNDS AND SALTS THEREOF AND THEIR APPLICATIONS CENTRAL SOUTH UNIVERSITY (CN) 2012-05-24 US disclosed
US-8133882-B2 Quinolone derivative or pharmaceutically acceptable salt thereof ASTELLAS PHARMA INC (JP) 2012-03-13 US disclosed
US-8133882-B2 Quinolone derivative or pharmaceutically acceptable salt thereof ASTELLAS PHARMA INC (JP) 2012-03-13 US disclosed
EP-1995240-B1 QUINOLONE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF ASTELLAS PHARMA INC (JP) 2012-02-22 EP disclosed
US-20090197834-A1 QUINOLONE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF ASTELLAS PHARMA INC. (JP) 2009-08-06 US disclosed
US-20090197834-A1 QUINOLONE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF ASTELLAS PHARMA INC. (JP) 2009-08-06 US disclosed
EP-1995240-A1 QUINOLONE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF Astellas Pharma Inc. (JP) 2008-11-26 EP 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 (3 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-20120136025-A1 QUINOLONE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF P2RY10, P2RY12, P2RY11 NPSR1 196/4885POLB 3020/4885ALDH1A1 1934/4885
US-20120129859-A1 PREPARATION OF 1-(SUBSTITUTED BENZYL)-5-TRIFLUOROMETHYL-2(1H)PYRIDONE COMPOUNDS AND SALTS THEREOF AND THEIR APPLICATIONS CFTR, PNPO, COL1A1 NPSR1 3520/4885POLB 2086/4885ALDH1A1 391/4885
US-20090197834-A1 QUINOLONE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF P2RY12, P2RY11, P2RY10 NPSR1 91/4885POLB 3393/4885ALDH1A1 2376/4885

“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.