SCHEMBL3322283

SCHEMBL3322283

Cc1nc2ccc(Cl)cc2c(-c2ccccc2)c1C(=O)N1CCCCC1

nearest known ligand 0.69

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FABP4 P15090 7/20 0.69
FABP3 P05413 6/20 0.69
FABP5 Q01469 6/20 0.63
KDM4E B2RXH2 1/20 0.56
PLA2G2A P14555 1/20 0.55
NPSR1 Q6W5P4 1/20 0.53
CYP2C9 P11712 2/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2D6 P10635 1/20 0.52
PRNP P04156 1/20 0.50
PPARG P37231 1/20 0.50
RXFP1 Q9HBX9 1/20 0.50
NR2E3 Q9Y5X4 1/20 0.50
NCOR2 Q9Y618 1/20 0.50
ALDH1A1 P00352 1/20 0.49
TP53 P04637 1/20 0.47
MDM2 Q00987 1/20 0.47

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 0.82 FABP4 (1.00) FABP4FABP3FABP5KDM4EPLA2G2A
SCHEMBL3321168 0.81 FABP4 (0.55) FABP4FABP3FABP5KDM4EPLA2G2A
SCHEMBL2820951 0.81 FABP4 (0.82) FABP4FABP3FABP5KDM4EPLA2G2A
SCHEMBL15630715 0.79 FABP3 (0.43) FABP4FABP3FABP5KDM4ENPSR1
SCHEMBL4505560 0.79 NPC1 (0.51) FABP4FABP3FABP5KDM4ECYP2C9
SCHEMBL4514198 0.79 NPC1 (0.51) FABP4FABP3FABP5KDM4ECYP2C9
SCHEMBL2820934 0.78 FABP4 (0.83) FABP4FABP3FABP5KDM4EPLA2G2A
SCHEMBL3966576 0.78 PRNP (0.56) FABP4FABP3NPSR1PRNPPPARG
SCHEMBL4502808 0.77 NPC1 (0.50) FABP4FABP3FABP5KDM4ECYP2C9
SCHEMBL14916322 0.77 FABP4 (1.00) FABP4FABP3FABP5KDM4EPLA2G2A

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8865739-B2 Substituted heterocyclic compounds as ion channel modulators GILEAD SCIENCES, INC. (US) 2014-10-21 US claimed
US-20140107155-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD SCIENCES, INC. (US) 2014-04-17 US claimed
US-8664399-B2 Substituted heterocyclic compounds as ion channel modulators GILEAD SCIENCES, INC. (US) 2014-03-04 US claimed
US-20130102632-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD SCIENCES, INC. (US) 2013-04-25 US claimed
US-20100125091-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD PALO ALTO, INC. (US) 2010-05-20 US claimed
WO-2010056865-A1 QUINOLINE DERIVATIVES AS ION CHANNEL MODULATORS GILEAD PALO ALTO, INC. (US) 2010-05-20 WO claimed
US-8865739-B2 Substituted heterocyclic compounds as ion channel modulators GILEAD SCIENCES, INC. (US) 2014-10-21 US disclosed
US-8865739-B2 Substituted heterocyclic compounds as ion channel modulators GILEAD SCIENCES, INC. (US) 2014-10-21 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-20140107155-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD SCIENCES, INC. (US) 2014-04-17 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
US-20130102632-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD SCIENCES, INC. (US) 2013-04-25 US disclosed
US-20100125091-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD PALO ALTO, INC. (US) 2010-05-20 US disclosed
US-20100125091-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD PALO ALTO, INC. (US) 2010-05-20 US 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
WO-2010056865-A1 QUINOLINE DERIVATIVES AS ION CHANNEL MODULATORS GILEAD PALO ALTO, INC. (US) 2010-05-20 WO 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-20140107155-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS KCNH2, KCNJ2, CACNA1E FABP4 3868/4885FABP3 1216/4885FABP5 3822/4885
US-20100125091-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS KCNH2, KCNJ2, CACNA1E FABP4 3868/4885FABP3 1216/4885FABP5 3822/4885
US-20130102632-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS KCNH2, KCNJ2, CACNA1E FABP4 3868/4885FABP3 1216/4885FABP5 3822/4885

“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.