SCHEMBL6439019

SCHEMBL6439019

Oc1ccc(-n2c(-c3cccs3)nc3ccccc32)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 5/20 1.00
ESR1 P03372 4/20 0.63
ALDH1A1 P00352 11/20 0.59
KDM4E B2RXH2 11/20 0.59
HPGD P15428 11/20 0.59
POLB P06746 1/20 0.59
GRIA1 P42261 1/20 0.58
CACNG8 Q8WXS5 1/20 0.58
CACNG2 Q9Y698 1/20 0.58
SMN1; SMN2 Q16637 4/20 0.57
NPSR1 Q6W5P4 1/20 0.57
NPC1 O15118 1/20 0.57
RAB9A P51151 1/20 0.57
MAPT P10636 4/20 0.53
HTT P42858 1/20 0.53
RCE1 Q9Y256 1/20 0.53
TSHR P16473 3/20 0.51
HSD17B10 Q99714 3/20 0.51
GAA P10253 3/20 0.51
LMNA P02545 3/20 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
SCHEMBL8010723 0.88 ESR2 (0.79) ESR2ALDH1A1KDM4EHPGDPOLB
SCHEMBL6440244 0.83 ESR2 (0.70) ESR2ALDH1A1KDM4EHPGDPOLB
SCHEMBL6439149 0.80 ESR2 (0.66) ESR2ESR1ALDH1A1HPGDGRIA1
SCHEMBL9007262 0.79 ESR2 (0.91) ESR2ESR1ALDH1A1KDM4EGRIA1
SCHEMBL6440249 0.79 ESR2 (0.91) ESR2ESR1ALDH1A1KDM4EGRIA1
SCHEMBL6439414 0.78 ESR2 (0.64) ESR2ESR1ALDH1A1KDM4EHPGD
SCHEMBL6440208 0.78 ESR2 (0.64) ESR2ESR1ALDH1A1KDM4EHPGD
SCHEMBL6439786 0.78 ESR2 (0.64) ESR2ESR1ALDH1A1KDM4EHPGD
SCHEMBL6440186 0.78 ESR2 (1.00) ESR2ESR1ALDH1A1KDM4EHPGD
SCHEMBL13400666 0.78 ESR2 (0.88) ESR2ESR1ALDH1A1KDM4EGRIA1

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 1/4885ALDH1A1 581/4885

“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.