SCHEMBL4367897

SCHEMBL4367897

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

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 6/20 0.39
ROCK1 Q13464 4/20 0.39
TACR3 P29371 1/20 0.39
TAS1R3 Q7RTX0 1/20 0.36
TAS1R1 Q7RTX1 1/20 0.36
FPR2 P25090 6/20 0.35
QPCT Q16769 2/20 0.35
MAPK1 P28482 1/20 0.33

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
SCHEMBL4367880 1.00 ROCK2 (0.39) ROCK2ROCK1TACR3TAS1R3TAS1R1
SCHEMBL4376105 0.90 MAPK1 (0.40) ROCK2ROCK1MAPK1
SCHEMBL4375050 0.83 EGLN1 (0.41) ROCK2ROCK1
SCHEMBL4371828 0.83 NPY5R (0.32)
SCHEMBL4372975 0.83 MTOR (0.40) ROCK2ROCK1
SCHEMBL4375234 0.83 MTOR (0.40) ROCK2ROCK1
SCHEMBL4371844 0.82 TRPV1 (0.40) ROCK2ROCK1
SCHEMBL4372174 0.81 METAP1 (0.31)
SCHEMBL4369500 0.81 MAPT (0.34) ROCK2ROCK1
SCHEMBL5409665 0.81 GPR142 (0.33)

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 ROCK2 1265/4885ROCK1 609/4885TACR3 4556/4885

“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.