SCHEMBL4375234

SCHEMBL4375234

C[C@H](c1ccccc1)N(C)C(=O)Nc1ccc2[nH]c(-c3cscn3)[n+](OC(=O)C(F)(F)F)c2c1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MTOR P42345 1/20 0.40
ROCK2 O75116 3/20 0.38
ROCK1 Q13464 3/20 0.38
NPY5R Q15761 10/20 0.32
NPY2R P49146 2/20 0.32
CYP2C9 P11712 1/20 0.31
ABL1 P00519 1/20 0.31
METAP1 P53582 1/20 0.30

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
SCHEMBL4372975 1.00 MTOR (0.40) MTORROCK2ROCK1NPY5RNPY2R
SCHEMBL4372174 0.91 METAP1 (0.31) METAP1
SCHEMBL4368955 0.87 METAP1 (0.32) METAP1
SCHEMBL4376105 0.86 MAPK1 (0.40) MTORROCK2ROCK1
SCHEMBL4371828 0.85 NPY5R (0.32) NPY5RMETAP1
SCHEMBL4371833 0.84 LRRK2 (0.33) ROCK2ROCK1
SCHEMBL4367880 0.83 ROCK2 (0.39) ROCK2ROCK1
SCHEMBL4365427 0.83 ROCK2 (0.39) ROCK2ROCK1CYP2C9
SCHEMBL4367897 0.83 ROCK2 (0.39) ROCK2ROCK1
SCHEMBL4363683 0.82 LRRK2 (0.31)

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 MTOR 400/4885ROCK2 1265/4885ROCK1 609/4885

“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.