SCHEMBL3320719

SCHEMBL3320719

Cc1nc2ccc(Cl)cc2c(-c2ccccc2F)c1C(=O)OC(C)(C)C

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.61
LMNA P02545 1/20 0.61
FABP3 P05413 3/20 0.53
FABP4 P15090 3/20 0.53
PLA2G2A P14555 2/20 0.49
KDM4E B2RXH2 1/20 0.47
PDE2A O00408 1/20 0.41
PDE10A Q9Y233 1/20 0.41
FABP5 Q01469 2/20 0.40
DHODH Q02127 3/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
DHFR P00374 1/20 0.38
ALKBH5 Q6P6C2 1/20 0.38

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
SCHEMBL3320894 0.89 FABP3 (0.55) SMN1; SMN2LMNAFABP3FABP4PLA2G2A
SCHEMBL3316451 0.86 LMNA (0.66) SMN1; SMN2LMNAFABP3FABP4PLA2G2A
SCHEMBL3318172 0.86 FABP4 (0.72) SMN1; SMN2LMNAFABP3FABP4PLA2G2A
SCHEMBL3321046 0.75 FABP3 (0.56) SMN1; SMN2LMNAFABP3FABP4PLA2G2A
SCHEMBL10659554 0.74 LMNA (0.64) SMN1; SMN2LMNAFABP3FABP4PLA2G2A
SCHEMBL10659561 0.74 LMNA (0.64) SMN1; SMN2LMNAFABP3FABP4PLA2G2A
SCHEMBL10657576 0.74 LMNA (0.64) SMN1; SMN2LMNAFABP3FABP4PLA2G2A
SCHEMBL386416 0.73 MAP2 (0.53) SMN1; SMN2LMNAKDM4EMEN1KMT2A
SCHEMBL31442524 0.73 FABP3 (0.62) SMN1; SMN2LMNAFABP3FABP4PLA2G2A
SCHEMBL10658955 0.72 LMNA (0.60) SMN1; SMN2LMNAFABP3FABP4PLA2G2A

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-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-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-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

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 SMN1; SMN2 2201/4885LMNA 880/4885FABP3 1216/4885
US-20100125091-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS KCNH2, KCNJ2, CACNA1E SMN1; SMN2 2201/4885LMNA 880/4885FABP3 1216/4885
US-20130102632-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS KCNH2, KCNJ2, CACNA1E SMN1; SMN2 2201/4885LMNA 880/4885FABP3 1216/4885

“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.