SCHEMBL6439734

SCHEMBL6439734

CC(NC(=O)c1ccc(-c2nc3ccccc3n2-c2ccc(O)cc2)cc1)c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 5/20 0.60
ESR1 P03372 4/20 0.60
GRIA1 P42261 1/20 0.56
CACNG8 Q8WXS5 1/20 0.56
CACNG2 Q9Y698 1/20 0.56
ROCK2 O75116 1/20 0.51
RPS6KA5 O75582 1/20 0.51
MAP4K4 O95819 1/20 0.51
CDK1 P06493 1/20 0.51
CSF1R P07333 1/20 0.51
PRKACA P17612 1/20 0.51
FLT1 P17948 1/20 0.51
RPS6KB1 P23443 1/20 0.51
CDK2 P24941 1/20 0.51
MAPK1 P28482 1/20 0.51
AKT1 P31749 1/20 0.51
FLT4 P35916 1/20 0.51
KDR P35968 1/20 0.51
FLT3 P36888 1/20 0.51
GSK3A P49840 1/20 0.51

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
SCHEMBL6440804 0.90 ESR2 (0.62) ESR2ESR1GRIA1CACNG8CACNG2
SCHEMBL6438788 0.89 ESR2 (0.62) ESR2ESR1GRIA1CACNG8CACNG2
SCHEMBL6440445 0.89 CNR2 (0.53) ESR2ESR1ROCK2RPS6KA5MAP4K4
SCHEMBL7061814 0.81 ESR2 (0.77) ESR2ESR1GRIA1CACNG8CACNG2
SCHEMBL6445980 0.80 ESR2 (0.71) ESR2ESR1GRIA1CACNG8CACNG2
SCHEMBL6441554 0.80 ALDH1A1 (0.61) ESR2ESR1RPS6KB1ROCK1MAPT
SCHEMBL6439134 0.79 ESR2 (0.66) ESR2ESR1GRIA1CACNG8CACNG2
SCHEMBL6438803 0.79 ESR2 (0.62) ESR2ESR1GRIA1CACNG8CACNG2
SCHEMBL6439148 0.79 ESR2 (0.62) ESR2ESR1GRIA1CACNG8CACNG2
SCHEMBL6439809 0.79 MDM2 (0.48) 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 6 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 claimed
US-20040002524-A1 Benzimidazole compounds and their use as estrogen agonists/antagonists CHESWORTH RICHARD (US) 2004-01-01 US claimed
WO-2004000817-A2 BENZIMIDAZOLE COMPOUNDS AND THEIR USE AS ESTROGEN AGONISTS/ANTAGONISTS PFIZER PRODUCTS INC. (US) 2003-12-31 WO claimed
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.