SCHEMBL6439095

SCHEMBL6439095

COc1ccc(Nc2ccccc2NC(=O)c2ccccc2C)c(C)c1

nearest known ligand 0.70

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.70
RAB9A P51151 5/20 0.59
NPC1 O15118 4/20 0.59
LMNA P02545 3/20 0.55
TOP1 P11387 1/20 0.55
MEN1 O00255 4/20 0.54
KMT2A Q03164 4/20 0.54
MAPT P10636 3/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
GAA P10253 2/20 0.52
F10 P00742 1/20 0.50
KDM4E B2RXH2 1/20 0.49
HPGD P15428 1/20 0.49
TSHR P16473 1/20 0.49
ATM Q13315 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
HSD17B10 Q99714 1/20 0.49
HTT P42858 1/20 0.49
MAPK1 P28482 1/20 0.48

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
SCHEMBL6440701 0.89 TOP1 (0.63) ALDH1A1RAB9ANPC1LMNATOP1
SCHEMBL10834828 0.81 AKR1C3 (0.67) RAB9ALMNAMEN1KMT2ASMN1; SMN2
SCHEMBL31494629 0.81 AKR1C3 (0.67) RAB9ALMNAMEN1KMT2ASMN1; SMN2
SCHEMBL10937347 0.81 GAA (0.57) ALDH1A1RAB9ANPC1TOP1MEN1
SCHEMBL10639862 0.80 GAA (0.72) ALDH1A1RAB9AMEN1KMT2AGAA
SCHEMBL6441818 0.80 GAA (0.56) ALDH1A1RAB9ANPC1LMNATOP1
SCHEMBL28201221 0.80 ALDH1A1 (0.70) ALDH1A1RAB9ANPC1LMNAMEN1
SCHEMBL29717300 0.79 RAB9A (0.64) ALDH1A1RAB9ANPC1LMNAMEN1
SCHEMBL10834109 0.77 CDC25B (0.65) ALDH1A1RAB9ANPC1LMNAMAPT
SCHEMBL10340630 0.75 KMT2A (0.67) ALDH1A1RAB9ANPC1LMNAMEN1

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 581/4885RAB9A 4499/4885NPC1 1609/4885

“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.