SCHEMBL6441818

SCHEMBL6441818

COc1ccc(Nc2ccccc2C(N)=O)c(C)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.56
MAPK10 P53779 7/20 0.55
MAPK8 P45983 6/20 0.55
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
PKM P14618 1/20 0.54
RAB9A P51151 2/20 0.53
KDM4E B2RXH2 1/20 0.53
NPC1 O15118 1/20 0.53
TP53 P04637 1/20 0.53
RECQL P46063 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
AKR1C3 P42330 2/20 0.52
AKR1C2 P52895 2/20 0.52
SIRT2 Q8IXJ6 2/20 0.50
ALDH1A1 P00352 1/20 0.50
TOP1 P11387 1/20 0.49
AKR1B10 O60218 1/20 0.49
AKR1B1 P15121 1/20 0.49
AKR1C4 P17516 1/20 0.49

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
SCHEMBL31494629 0.87 AKR1C3 (0.67) GAAMEN1KMT2ARAB9AKDM4E
SCHEMBL10937347 0.87 GAA (0.57) GAAMEN1KMT2ARAB9AKDM4E
SCHEMBL10834828 0.87 AKR1C3 (0.67) GAAMEN1KMT2ARAB9AKDM4E
SCHEMBL10834109 0.83 CDC25B (0.65) GAARAB9AKDM4ENPC1TP53
SCHEMBL10639862 0.80 GAA (0.72) GAAMEN1KMT2ARAB9AALDH1A1
SCHEMBL4642709 0.80 CLCN2 (0.59) MEN1KMT2ARAB9AKDM4ENPC1
SCHEMBL6439095 0.80 ALDH1A1 (0.70) GAAMEN1KMT2ARAB9AKDM4E
SCHEMBL5386714 0.80 IDO1 (0.50) MEN1KMT2ARAB9ASMN1; SMN2AKR1C3
SCHEMBL6443532 0.80 MEN1 (0.72) GAAMAPK10MAPK8MEN1KMT2A
SCHEMBL28357281 0.79 SIRT2 (0.75) MAPK10RAB9AKDM4ENPC1TP53

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 GAA 1349/4885MAPK10 3488/4885MAPK8 1844/4885

“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.