SCHEMBL3321907

SCHEMBL3321907

Cc1nc2ccc(Cl)cc2c(-c2ccccc2Cl)c1C(=O)OCc1ccccc1Br

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.53
RAB9A P51151 3/20 0.53
NPC1 O15118 2/20 0.53
FABP3 P05413 3/20 0.48
FABP4 P15090 3/20 0.48
KDM4E B2RXH2 3/20 0.46
PLA2G2A P14555 2/20 0.45
LMNA P02545 3/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
KMT2A Q03164 4/20 0.41
MEN1 O00255 2/20 0.41
FABP5 Q01469 2/20 0.39
PRNP P04156 1/20 0.39
PPARG P37231 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
NR2E3 Q9Y5X4 1/20 0.39
NCOR2 Q9Y618 1/20 0.39
ALDH1A1 P00352 3/20 0.39
GAA P10253 1/20 0.38
HPGD P15428 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
SCHEMBL3316435 0.86 MAPT (0.58) MAPTRAB9ANPC1FABP3FABP4
SCHEMBL3321046 0.86 FABP3 (0.56) MAPTRAB9ANPC1FABP3FABP4
SCHEMBL3320894 0.79 FABP3 (0.55) FABP3FABP4KDM4EPLA2G2ALMNA
SCHEMBL31442524 0.78 FABP3 (0.62) FABP3FABP4KDM4EPLA2G2ALMNA
SCHEMBL9443184 0.78 CSF1R (0.48) MAPTRAB9ANPC1FABP3FABP4
SCHEMBL3316451 0.76 LMNA (0.66) MAPTRAB9ANPC1FABP3FABP4
SCHEMBL3320612 0.75 MAPT (0.59) MAPTRAB9ANPC1KDM4ELMNA
SCHEMBL3322903 0.74 FABP4 (0.73) MAPTRAB9ANPC1FABP3FABP4
SCHEMBL3351942 0.71 SMN1; SMN2 (0.55) MAPTRAB9AKDM4ELMNASMN1; SMN2
SCHEMBL9358289 0.70 PLA2G2A (0.56) MAPTFABP3FABP4KDM4EPLA2G2A

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 MAPT 4101/4885RAB9A 1215/4885NPC1 655/4885
US-20100125091-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS KCNH2, KCNJ2, CACNA1E MAPT 4101/4885RAB9A 1215/4885NPC1 655/4885
US-20130102632-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS KCNH2, KCNJ2, CACNA1E MAPT 4101/4885RAB9A 1215/4885NPC1 655/4885

“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.