SCHEMBL4375032

SCHEMBL4375032

O=C(Nc1ccc2[nH]c(-c3cscn3)[n+](OC(=O)C(F)(F)F)c2c1)NC1CC1c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MET P08581 2/20 0.40
CNR1 P21554 1/20 0.40
EPHX2 P34913 4/20 0.39
IDH1 O75874 1/20 0.36
MAPK1 P28482 2/20 0.35
TRPV1 Q8NER1 3/20 0.34
ROCK2 O75116 1/20 0.32
ROCK1 Q13464 1/20 0.32
FPR1 P21462 2/20 0.31
FPR2 P25090 2/20 0.31
DYRK1A Q13627 2/20 0.31
CLK2 P49760 1/20 0.31
CLK3 P49761 1/20 0.31
WNT1 P04628 1/20 0.31
LPAR2 Q9HBW0 1/20 0.31

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
SCHEMBL4375050 0.82 EGLN1 (0.41) ROCK2ROCK1
SCHEMBL4376105 0.81 MAPK1 (0.40) MAPK1ROCK2ROCK1
SCHEMBL4369500 0.81 MAPT (0.34) METROCK2ROCK1CLK2
SCHEMBL4367897 0.79 ROCK2 (0.39) MAPK1ROCK2ROCK1FPR2
SCHEMBL4367880 0.79 ROCK2 (0.39) MAPK1ROCK2ROCK1FPR2
SCHEMBL4375234 0.78 MTOR (0.40) ROCK2ROCK1
SCHEMBL4380098 0.78 KCNH2 (0.33)
Trifluoroacetic Acid SCHEMBL4375028 0.78 EPHX2 (0.47) METCNR1EPHX2IDH1MAPK1
SCHEMBL4368955 0.77 METAP1 (0.32)
SCHEMBL4379357 0.77 GPR142 (0.32) ROCK2ROCK1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7622592-B2 Carbonylamino-benzimidazole derivatives as androgen receptor modulators MERCK & CO., INC. (US) 2009-11-24 US claimed
US-20060036098-A1 Carbonylamino-benzimidazole derivatives as androgen receptor modulators MERCK SHARP & DOHME CORP. 2006-02-16 US claimed
US-7622592-B2 Carbonylamino-benzimidazole derivatives as androgen receptor modulators MERCK & CO., INC. (US) 2009-11-24 US disclosed
US-20060036098-A1 Carbonylamino-benzimidazole derivatives as androgen receptor modulators MERCK SHARP & DOHME CORP. 2006-02-16 US 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-20060036098-A1 Carbonylamino-benzimidazole derivatives as androgen receptor modulators AR, SHBG, BRCA1 MET 803/4885CNR1 2873/4885EPHX2 4511/4885

“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.