SCHEMBL2820951

SCHEMBL2820951

CC(=O)c1c(C)nc2ccc(Cl)cc2c1-c1ccccc1

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FABP4 P15090 5/20 0.82
FABP3 P05413 4/20 0.82
ALDH1A1 P00352 1/20 0.72
KDM4E B2RXH2 1/20 0.65
PLA2G2A P14555 1/20 0.64
FABP5 Q01469 4/20 0.62
NPSR1 Q6W5P4 2/20 0.61
PRNP P04156 1/20 0.59
PPARG P37231 1/20 0.59
RXFP1 Q9HBX9 1/20 0.59
NR2E3 Q9Y5X4 1/20 0.59
NCOR2 Q9Y618 1/20 0.59
KMT2A Q03164 1/20 0.56
GAA P10253 1/20 0.53
MAPT P10636 1/20 0.53
MAP2 P11137 1/20 0.53
DHODH Q02127 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.51
TP53 P04637 1/20 0.50
HSD17B10 Q99714 1/20 0.50

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
SCHEMBL21083000 0.90 FABP4 (1.00) FABP4FABP3ALDH1A1KDM4EPLA2G2A
SCHEMBL2825174 0.86 ALDH1A1 (0.76) FABP4FABP3ALDH1A1KDM4EPLA2G2A
SCHEMBL31442524 0.86 FABP3 (0.62) FABP4FABP3ALDH1A1KDM4EPLA2G2A
SCHEMBL31442453 0.85 GAA (0.62) FABP4FABP3ALDH1A1KDM4EPLA2G2A
SCHEMBL2822459 0.85 GAA (0.62) FABP4FABP3ALDH1A1KDM4EPLA2G2A
SCHEMBL2824337 0.84 FABP4 (0.65) FABP4FABP3ALDH1A1KDM4EPLA2G2A
SCHEMBL2822472 0.84 ALDH1A1 (1.00) FABP4FABP3ALDH1A1KDM4ENPSR1
SCHEMBL3322903 0.84 FABP4 (0.73) FABP4FABP3ALDH1A1KDM4EPLA2G2A
SCHEMBL2822065 0.83 FABP4 (0.59) FABP4FABP3ALDH1A1KDM4EPLA2G2A
SCHEMBL3318172 0.83 FABP4 (0.72) FABP4FABP3ALDH1A1KDM4EPLA2G2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1809605-B1 QUINOLINES AS ALLOSTERIC ENHANCERS OF THE GABA-B RECEPTORS HOFFMANN LA ROCHE (CH) 2010-08-11 EP claimed
EP-1809605-A1 QUINOLINE AS ALLOSTERIC ENHANCERS OF THE GABA-B RECEPTORS F. Hoffmann-Roche AG (CH) 2007-07-25 EP claimed
WO-2006048146-A1 QUINOLINE AS ALLOSTERIC ENHANCERS OF THE GABA-B RECEPTORS F. HOFFMANN-LA ROCHE AG (CH) 2006-05-11 WO claimed
US-20060094754-A1 Quinolines as allosteric enhancers of the GABAB receptors HOFFMANN-LA ROCHE INC. 2006-05-04 US claimed
US-20150164910-A1 ANTIVIRAL COMPOUNDS AND METHODS OF USE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2015-06-18 US disclosed
US-20150164910-A1 ANTIVIRAL COMPOUNDS AND METHODS OF USE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2015-06-18 US disclosed
US-20150164910-A1 ANTIVIRAL COMPOUNDS AND METHODS OF USE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2015-06-18 US disclosed
US-8865739-B2 Substituted heterocyclic compounds as ion channel modulators GILEAD SCIENCES, INC. (US) 2014-10-21 US disclosed
US-20140107155-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD SCIENCES, INC. (US) 2014-04-17 US disclosed
US-8664399-B2 Substituted heterocyclic compounds as ion channel modulators GILEAD SCIENCES, INC. (US) 2014-03-04 US disclosed
US-20130102632-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD SCIENCES, INC. (US) 2013-04-25 US disclosed
EP-1809605-B1 QUINOLINES AS ALLOSTERIC ENHANCERS OF THE GABA-B RECEPTORS HOFFMANN LA ROCHE (CH) 2010-08-11 EP disclosed
US-20100125091-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD PALO ALTO, INC. (US) 2010-05-20 US disclosed
WO-2010056865-A1 QUINOLINE DERIVATIVES AS ION CHANNEL MODULATORS GILEAD PALO ALTO, INC. (US) 2010-05-20 WO disclosed
US-7576217-B2 Quinolines as allosteric enhancers of the GABAB receptors HOFFMAN-LA ROCHE INC. (US) 2009-08-18 US disclosed
EP-1809605-A1 QUINOLINE AS ALLOSTERIC ENHANCERS OF THE GABA-B RECEPTORS F. Hoffmann-Roche AG (CH) 2007-07-25 EP disclosed
WO-2006048146-A1 QUINOLINE AS ALLOSTERIC ENHANCERS OF THE GABA-B RECEPTORS F. HOFFMANN-LA ROCHE AG (CH) 2006-05-11 WO disclosed
US-20060094754-A1 Quinolines as allosteric enhancers of the GABAB receptors HOFFMANN-LA ROCHE INC. 2006-05-04 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 (5 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-20140107155-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS KCNH2, KCNJ2, CACNA1E FABP4 3868/4885FABP3 1216/4885ALDH1A1 2215/4885
US-20060094754-A1 Quinolines as allosteric enhancers of the GABAB receptors GABRB1, GABRB2, GABRA1 FABP4 3800/4885FABP3 2743/4885ALDH1A1 925/4885
US-20100125091-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS KCNH2, KCNJ2, CACNA1E FABP4 3868/4885FABP3 1216/4885ALDH1A1 2215/4885
US-20150164910-A1 ANTIVIRAL COMPOUNDS AND METHODS OF USE EIF2AK2, RNASE1, HAVCR2 FABP4 4662/4885FABP3 2738/4885ALDH1A1 4417/4885
US-20130102632-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS KCNH2, KCNJ2, CACNA1E FABP4 3868/4885FABP3 1216/4885ALDH1A1 2215/4885

“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.