SCHEMBL4371833

SCHEMBL4371833

Cc1ccccc1N(C)C(=O)Nc1ccc2[nH]c(-c3cscn3)[n+](OC(=O)C(F)(F)F)c2c1

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 1/20 0.33
IMPDH2 P12268 1/20 0.31
NPC1 O15118 1/20 0.31
MEN1 O00255 1/20 0.31
MAPT P10636 1/20 0.31
KMT2A Q03164 1/20 0.31
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
GLA P06280 1/20 0.30
GAA P10253 1/20 0.30
HPGD P15428 1/20 0.30
ROCK2 O75116 1/20 0.30
ROCK1 Q13464 1/20 0.30
LIPE Q05469 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
SCHEMBL4368655 0.90 TRPV1 (0.38) LRRK2IMPDH2NPC1MEN1MAPT
SCHEMBL4363683 0.89 LRRK2 (0.31) LRRK2
SCHEMBL4369545 0.88 IMPDH2 (0.34) LRRK2IMPDH2NPC1MAPTKDM4E
SCHEMBL4375627 0.88 IMPDH2 (0.32) LRRK2IMPDH2NPC1MAPTROCK2
SCHEMBL4367530 0.87 KDR (0.38) LRRK2IMPDH2NPC1MEN1KMT2A
SCHEMBL4368730 0.87 METAP2 (0.32) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL4364841 0.87 MAPT (0.33) MAPT
SCHEMBL4379300 0.85 MAPT (0.33) LRRK2IMPDH2MEN1MAPTKMT2A
SCHEMBL4367683 0.85 LIPE (0.33) IMPDH2NPC1MEN1MAPTKMT2A
SCHEMBL4369519 0.85 MAPT (0.43) IMPDH2NPC1MEN1MAPTKMT2A

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 LRRK2 922/4885IMPDH2 2750/4885NPC1 3580/4885

“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.