SCHEMBL6443307

SCHEMBL6443307

COc1ccc(-c2nc3ccccc3n2-c2cccs2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.55
KDM4E B2RXH2 8/20 0.55
SMN1; SMN2 Q16637 6/20 0.55
MAPT P10636 5/20 0.54
TP53 P04637 5/20 0.54
RAB9A P51151 2/20 0.54
NPC1 O15118 1/20 0.54
CNR2 P34972 2/20 0.54
HTT P42858 5/20 0.53
NPSR1 Q6W5P4 4/20 0.53
LMNA P02545 3/20 0.53
L3MBTL1 Q9Y468 2/20 0.53
TSHR P16473 2/20 0.53
GAA P10253 2/20 0.53
HPGD P15428 4/20 0.52
HSD17B10 Q99714 2/20 0.51
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
HIF1A Q16665 1/20 0.50
TUBB4A P04350 1/20 0.46

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
SCHEMBL6439760 0.83 ESR2 (0.60) ALDH1A1KDM4ESMN1; SMN2MAPTRAB9A
SCHEMBL6912346 0.81 ALDH1A1 (0.67) ALDH1A1KDM4ESMN1; SMN2MAPTTP53
SCHEMBL8025747 0.80 ALDH1A1 (0.65) ALDH1A1KDM4ESMN1; SMN2MAPTTP53
SCHEMBL6439111 0.79 ALDH1A1 (0.53) ALDH1A1KDM4ESMN1; SMN2MAPTTP53
SCHEMBL6440244 0.77 ESR2 (0.70) ALDH1A1KDM4ESMN1; SMN2MAPTTP53
SCHEMBL30746859 0.77 ESR1 (0.67) ALDH1A1KDM4ESMN1; SMN2MAPTTP53
SCHEMBL6439028 0.77 ESR1 (0.67) ALDH1A1KDM4ESMN1; SMN2MAPTTP53
SCHEMBL8011388 0.75 TP53 (0.66) ALDH1A1KDM4ESMN1; SMN2MAPTTP53
SCHEMBL28161177 0.75 ALDH1A1 (0.60) ALDH1A1KDM4ESMN1; SMN2MAPTTP53
SCHEMBL5011775 0.75 ALDH1A1 (0.68) ALDH1A1KDM4ESMN1; SMN2MAPTTP53

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 ALDH1A1 581/4885KDM4E 966/4885SMN1; SMN2 4810/4885

“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.