SCHEMBL6454533

SCHEMBL6454533

N#Cc1ccc(-c2nc3ccccc3n2-c2ccc(O)cc2)cc1

nearest known ligand 0.72

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 5/20 0.72
ESR1 P03372 5/20 0.72
GRIA1 P42261 1/20 0.70
CACNG8 Q8WXS5 1/20 0.70
CACNG2 Q9Y698 1/20 0.70
RPS6KB1 P23443 2/20 0.57
GSK3B P49841 1/20 0.57
ALDH1A1 P00352 1/20 0.50
SLC22A12 Q96S37 1/20 0.49
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
ATM Q13315 1/20 0.48
PTGS2 P35354 1/20 0.47
TDP2 O95551 2/20 0.47
MMP3 P08254 1/20 0.46
KDM4E B2RXH2 1/20 0.43
NR1H4 Q96RI1 1/20 0.43
ADORA2A P29274 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
SCHEMBL8027630 0.89 ESR1 (0.58) ESR2ESR1GRIA1CACNG8CACNG2
SCHEMBL9007262 0.89 ESR2 (0.91) ESR2ESR1GRIA1CACNG8CACNG2
SCHEMBL6440249 0.89 ESR2 (0.91) ESR2ESR1GRIA1CACNG8CACNG2
SCHEMBL13400666 0.87 ESR2 (0.88) ESR2ESR1GRIA1CACNG8CACNG2
SCHEMBL28160715 0.87 RPS6KB1 (0.57) ESR2ESR1GRIA1CACNG8CACNG2
SCHEMBL2329244 0.85 ESR1 (0.61) ESR2ESR1GRIA1CACNG8CACNG2
SCHEMBL6440186 0.84 ESR2 (1.00) ESR2ESR1GRIA1CACNG8CACNG2
SCHEMBL8021778 0.84 ESR2 (0.88) ESR2ESR1GRIA1CACNG8CACNG2
SCHEMBL22414155 0.84 RPS6KB1 (0.54) ESR2ESR1GRIA1CACNG8CACNG2
SCHEMBL16438194 0.84 RPS6KB1 (0.54) ESR2ESR1GRIA1CACNG8CACNG2

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 3/4885ESR1 1/4885GRIA1 1481/4885

“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.