SCHEMBL6440244

SCHEMBL6440244

COc1ccc(-n2c(-c3cccs3)nc3ccccc32)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.70
ALDH1A1 P00352 12/20 0.57
KDM4E B2RXH2 9/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
NPC1 O15118 1/20 0.57
RAB9A P51151 1/20 0.57
RPS6KB1 P23443 1/20 0.56
ROCK1 Q13464 1/20 0.56
LMNA P02545 3/20 0.56
MAPK1 P28482 1/20 0.56
NPSR1 Q6W5P4 1/20 0.54
HPGD P15428 8/20 0.53
MAPT P10636 3/20 0.53
HTT P42858 1/20 0.53
RCE1 Q9Y256 1/20 0.53
POLB P06746 1/20 0.52
HSD17B10 Q99714 3/20 0.51
GAA P10253 2/20 0.51
TSHR P16473 1/20 0.51
MEN1 O00255 2/20 0.50

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
SCHEMBL8010723 0.85 ESR2 (0.79) ESR2ALDH1A1KDM4ESMN1; SMN2NPC1
SCHEMBL6439019 0.83 ESR2 (1.00) ESR2ALDH1A1KDM4ESMN1; SMN2NPC1
SCHEMBL6438195 0.81 RPS6KB1 (0.55) ESR2ALDH1A1KDM4ESMN1; SMN2NPC1
SCHEMBL6441768 0.81 RPS6KB1 (0.55) ESR2ALDH1A1KDM4ESMN1; SMN2NPC1
SCHEMBL6445968 0.81 RPS6KB1 (0.55) ESR2ALDH1A1KDM4ESMN1; SMN2NPC1
SCHEMBL6912346 0.81 ALDH1A1 (0.67) ESR2ALDH1A1KDM4ESMN1; SMN2NPC1
SCHEMBL30746859 0.80 ESR1 (0.67) ESR2ALDH1A1KDM4ESMN1; SMN2NPC1
SCHEMBL6439028 0.80 ESR1 (0.67) ESR2ALDH1A1KDM4ESMN1; SMN2NPC1
SCHEMBL6438906 0.79 RPS6KB1 (0.53) ESR2ALDH1A1KDM4ESMN1; SMN2NPC1
SCHEMBL6438220 0.79 RPS6KB1 (0.53) ESR2ALDH1A1KDM4ESMN1; SMN2NPC1

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 ESR2 3/4885ALDH1A1 581/4885KDM4E 966/4885

“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.