SCHEMBL1483182

SCHEMBL1483182

COc1ccc(C#Cc2ccccc2-c2nc3ccccc3n2CC2CCCCC2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.48
ALDH1A1 P00352 8/20 0.43
KDM4E B2RXH2 7/20 0.43
SMN1; SMN2 Q16637 5/20 0.43
MAPT P10636 5/20 0.43
TP53 P04637 4/20 0.43
NPSR1 Q6W5P4 3/20 0.43
HSD17B10 Q99714 2/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
PRKACA P17612 2/20 0.42
RPS6KB1 P23443 2/20 0.42
GSK3B P49841 2/20 0.42
ROCK1 Q13464 2/20 0.42
HTT P42858 5/20 0.42
LMNA P02545 3/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
TSHR P16473 2/20 0.42
CNR2 P34972 1/20 0.42
GAA P10253 1/20 0.42

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
SCHEMBL1482700 0.87 PRKACA (0.44) ALDH1A1KDM4ENPSR1HSD17B10PRKACA
SCHEMBL1482589 0.80 PRKACA (0.42) KCNH2ALDH1A1KDM4ETP53HSD17B10
SCHEMBL1482698 0.80 KCNH2 (0.57) KCNH2ALDH1A1KDM4ESMN1; SMN2MAPT
SCHEMBL1482134 0.78 RXRA (0.43) KCNH2MAPTTP53NPSR1HTT
SCHEMBL1483068 0.77 ALOX5 (0.44) KCNH2ALDH1A1KDM4ENPSR1HSD17B10
SCHEMBL1483150 0.76 PRKACA (0.39) KCNH2ALDH1A1KDM4ETP53HSD17B10
SCHEMBL1482478 0.76 CNR2 (0.40) KCNH2NPSR1CNR2MEN1KMT2A
SCHEMBL1482899 0.73 PRKACA (0.53) ALDH1A1KDM4ETP53NPSR1HSD17B10
SCHEMBL1482888 0.72 ALOX5 (0.52) KCNH2ALDH1A1KDM4ETP53NPSR1
SCHEMBL1577936 0.72 CNR2 (0.50) ALDH1A1KDM4EMAPTNPSR1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8309581-B2 Benzimidazole derivatives HOFFMANN-LA ROCHE INC. (US) 2012-11-13 US disclosed
EP-2483247-A1 NEW BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS FXR AGONISTS F. Hoffmann-La Roche AG (CH) 2012-08-08 EP disclosed
WO-2011039130-A1 NEW BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS FXR AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2011-04-07 WO disclosed
US-20110077273-A1 NEW BENZIMIDAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2011-03-31 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 (1 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-20110077273-A1 NEW BENZIMIDAZOLE DERIVATIVES BRI3BP, CYP3A4, RB1 KCNH2 839/4885ALDH1A1 187/4885KDM4E 1791/4885

“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.