SCHEMBL6470830

SCHEMBL6470830

COc1ccc(-n2c(-c3ccc(C(=O)NC(c4ccccc4)c4ccccc4)s3)nc3ccccc32)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 5/20 0.48
ROCK1 Q13464 2/20 0.46
RPS6KB1 P23443 1/20 0.46
HDAC1 Q13547 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
ALDH1A1 P00352 4/20 0.43
CASP1 P29466 2/20 0.43
HSD17B10 Q99714 2/20 0.43
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
MAPT P10636 1/20 0.43
TP53 P04637 2/20 0.43
CASP7 P55210 1/20 0.43
CYP3A4 P08684 1/20 0.43
GAA P10253 2/20 0.42
DHODH Q02127 1/20 0.41
ADORA3 P0DMS8 3/20 0.41
CHEK1 O14757 1/20 0.41
AURKA O14965 1/20 0.41

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
SCHEMBL6438936 0.89 HPGDS (0.52) HPGDSHDAC1HDAC8HDAC6ALDH1A1
SCHEMBL6439128 0.85 CASP1 (0.50) ROCK1RPS6KB1HDAC1HDAC8HDAC6
SCHEMBL6438821 0.84 HDAC1 (0.51) ROCK1RPS6KB1HDAC1HDAC8HDAC6
SCHEMBL6441554 0.82 ALDH1A1 (0.61) HPGDSROCK1RPS6KB1HDAC1HDAC8
SCHEMBL6439137 0.75 ESR2 (0.56) ROCK1RPS6KB1HDAC1HDAC8HDAC6
SCHEMBL6440445 0.74 CNR2 (0.53) ROCK1RPS6KB1HDAC1HDAC8HDAC6
SCHEMBL6439028 0.70 ESR1 (0.67) ROCK1RPS6KB1HDAC1HDAC8HDAC6
SCHEMBL30746859 0.70 ESR1 (0.67) ROCK1RPS6KB1HDAC1HDAC8HDAC6
SCHEMBL6440244 0.70 ESR2 (0.70) ROCK1RPS6KB1ALDH1A1CASP1HSD17B10
SCHEMBL6440804 0.69 ESR2 (0.62) HPGDSHDAC1HDAC8HDAC6ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1517897-A2 BENZIMIDAZOLE COMPOUNDS AND THEIR USE AS ESTROGEN AGONISTS/ANTAGONISTS Pfizer Products Inc. (US) 2005-03-30 EP disclosed
US-20040002524-A1 Benzimidazole compounds and their use as estrogen agonists/antagonists CHESWORTH RICHARD (US) 2004-01-01 US disclosed
WO-2004000817-A2 BENZIMIDAZOLE COMPOUNDS AND THEIR USE AS ESTROGEN AGONISTS/ANTAGONISTS PFIZER PRODUCTS INC. (US) 2003-12-31 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 (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-20040002524-A1 Benzimidazole compounds and their use as estrogen agonists/antagonists ESR1, GPER1, ESR2 HPGDS 1543/4885ROCK1 3937/4885RPS6KB1 3429/4885

“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.