SCHEMBL4371844

SCHEMBL4371844

CC(NC(=O)Nc1ccc2[nH]c(-c3cscn3)[n+](OC(=O)C(F)(F)F)c2c1)c1cccc2ccccc12

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 2/20 0.40
IDH1 O75874 1/20 0.38
HDAC3 O15379 1/20 0.37
CYP2C9 P11712 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
PDE2A O00408 1/20 0.34
LTC4S Q16873 1/20 0.34
ROCK2 O75116 1/20 0.34
ROCK1 Q13464 1/20 0.34
CMA1 P23946 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
SCHEMBL4376105 0.88 MAPK1 (0.40) ROCK2ROCK1
SCHEMBL4368655 0.83 TRPV1 (0.38) TRPV1ROCK2ROCK1
SCHEMBL4367880 0.82 ROCK2 (0.39) ROCK2ROCK1
SCHEMBL4367897 0.82 ROCK2 (0.39) ROCK2ROCK1
SCHEMBL4375050 0.80 EGLN1 (0.41) ROCK2ROCK1
SCHEMBL4369500 0.79 MAPT (0.34) ROCK2ROCK1
SCHEMBL4368955 0.79 METAP1 (0.32)
Trifluoroacetic Acid SCHEMBL4371839 0.79 METAP1 (0.43) TRPV1IDH1HDAC3CYP2C9HDAC1
SCHEMBL4372975 0.78 MTOR (0.40) CYP2C9ROCK2ROCK1
SCHEMBL4375234 0.78 MTOR (0.40) CYP2C9ROCK2ROCK1

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 2 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 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 TRPV1 2848/4885IDH1 2649/4885HDAC3 402/4885

“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.