SCHEMBL3320901

SCHEMBL3320901

Nc1ccc(Cl)cc1CC(=O)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
KMT2A Q03164 5/20 0.48
RAB9A P51151 4/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
NPC1 O15118 3/20 0.48
MAPK1 P28482 3/20 0.48
MEN1 O00255 3/20 0.48
HPGD P15428 2/20 0.48
ALOX15 P16050 2/20 0.48
USP2 O75604 1/20 0.48
LMNA P02545 1/20 0.48
TP53 P04637 1/20 0.48
HTT P42858 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
HSD17B10 Q99714 1/20 0.48
GFER P55789 1/20 0.45
RECQL P46063 1/20 0.44
TRPA1 O75762 1/20 0.43
ALDH1A1 P00352 1/20 0.43

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
SCHEMBL6195031 0.83 MAPT (0.54) MAPTL3MBTL1KMT2ARAB9ASMN1; SMN2
SCHEMBL6950315 0.81 KEAP1 (0.50) MAPTKMT2ASMN1; SMN2MAPK1MEN1
SCHEMBL29957277 0.81 KEAP1 (0.50) MAPTKMT2ASMN1; SMN2MAPK1MEN1
SCHEMBL5318479 0.80 MAPT (0.57) MAPTL3MBTL1KMT2ARAB9ASMN1; SMN2
SCHEMBL593745 0.79 MAPT (0.50) MAPTL3MBTL1KMT2ARAB9ASMN1; SMN2
SCHEMBL28183593 0.79 RECQL (0.45) KMT2ARAB9ASMN1; SMN2NPC1MAPK1
SCHEMBL3669454 0.78 MAPT (0.49) MAPTL3MBTL1KMT2ARAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL28144703 0.78 MAPT (0.48) MAPTL3MBTL1KMT2ARAB9ASMN1; SMN2
SCHEMBL11768543 0.77 MAPT (0.55) MAPTL3MBTL1KMT2ARAB9ASMN1; SMN2
SCHEMBL28724620 0.77 CRHBP (0.51) MAPTL3MBTL1KMT2ARAB9ASMN1; SMN2

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 6 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 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 4101/4885L3MBTL1 3708/4885KMT2A 2275/4885
US-20100125091-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS KCNH2, KCNJ2, CACNA1E MAPT 4101/4885L3MBTL1 3708/4885KMT2A 2275/4885
US-20130102632-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS KCNH2, KCNJ2, CACNA1E MAPT 4101/4885L3MBTL1 3708/4885KMT2A 2275/4885

“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.