SCHEMBL6440195

SCHEMBL6440195

COc1ccc(-n2c(C3(C)CC3)nc3ccccc32)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RPS6KB1 P23443 1/20 0.49
ROCK1 Q13464 1/20 0.49
TSHR P16473 2/20 0.47
POLB P06746 1/20 0.47
MAPT P10636 7/20 0.46
RAB9A P51151 5/20 0.46
NPC1 O15118 3/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C19 P33261 1/20 0.46
HTT P42858 2/20 0.46
ALDH1A1 P00352 5/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
CRHBP P24387 1/20 0.45
CRHR2 Q13324 1/20 0.45
LMNA P02545 3/20 0.44
HSD17B10 Q99714 2/20 0.44

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
SCHEMBL6909402 0.83 ESR2 (0.54) RAB9ANPC1HTTALDH1A1MEN1
SCHEMBL541002 0.77 HTT (0.70) RPS6KB1ROCK1TSHRPOLBMAPT
SCHEMBL10353247 0.76 RPS6KB1 (0.54) RPS6KB1ROCK1TSHRPOLBMAPT
SCHEMBL4096979 0.76 RPS6KB1 (0.54) RPS6KB1ROCK1TSHRPOLBMAPT
SCHEMBL6912346 0.74 ALDH1A1 (0.67) RPS6KB1ROCK1TSHRMAPTRAB9A
SCHEMBL3968859 0.74 LMNA (0.41) TSHRPOLBMAPTRAB9ANPC1
SCHEMBL30746859 0.73 ESR1 (0.67) RPS6KB1ROCK1TSHRMAPTRAB9A
SCHEMBL6439028 0.73 ESR1 (0.67) RPS6KB1ROCK1TSHRMAPTRAB9A
SCHEMBL11392919 0.72 ALDH1A1 (0.59) RPS6KB1ROCK1TSHRPOLBMAPT
SCHEMBL10894564 0.72 RAB9A (0.51) RPS6KB1ROCK1TSHRMAPTRAB9A

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 RPS6KB1 3429/4885ROCK1 3937/4885TSHR 300/4885

“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.