SCHEMBL4369669

SCHEMBL4369669

O=C(NCc1cccc(Cl)c1)Nc1ccc2[nH]c(-c3cscn3)[n+](OC(=O)C(F)(F)F)c2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 8/20 0.47
ROCK1 Q13464 4/20 0.40
NAMPT P43490 3/20 0.39
EPHX2 P34913 1/20 0.38
TP53 P04637 1/20 0.38
ATG4B Q9Y4P1 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.37
AURKA O14965 1/20 0.37
DYRK3 O43781 1/20 0.37
PRKD3 O94806 1/20 0.37
PRKCG P05129 1/20 0.37
PRKACA P17612 1/20 0.37
RPS6KB1 P23443 1/20 0.37
MARK3 P27448 1/20 0.37
MAPK1 P28482 1/20 0.37
AKT1 P31749 1/20 0.37
CSNK1D P48730 1/20 0.37
CLK2 P49760 1/20 0.37
GSK3A P49840 1/20 0.37

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
SCHEMBL4379321 0.93 ROCK2 (0.38) ROCK2ROCK1NAMPTNPC1AURKA
SCHEMBL4369306 0.91 ATG4B (0.41) ROCK2ROCK1NAMPTATG4B
SCHEMBL4367710 0.88 ROCK2 (0.44) ROCK2ROCK1NAMPTNPC1AURKA
SCHEMBL4376303 0.83 ROCK2 (0.34) ROCK2ROCK1PRKACARPS6KB1PRKX
SCHEMBL4367683 0.82 LIPE (0.33) NPC1RAB9A
SCHEMBL4369500 0.81 MAPT (0.34) ROCK2ROCK1AURKAPRKD3PRKACA
SCHEMBL4375050 0.79 EGLN1 (0.41) ROCK2ROCK1
SCHEMBL4368730 0.78 METAP2 (0.32)
SCHEMBL4379357 0.78 GPR142 (0.32) ROCK2ROCK1NPC1RAB9A
SCHEMBL4379300 0.78 MAPT (0.33) ROCK2ROCK1LIMK1

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 10 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
EP-1581217-A4 CARBONYLAMINO-BENZIMIDAZOLE DERIVATIVES AS ANDROGEN RECEPTOR MODULATORS MERCK & CO INC (US) 2007-07-11 EP claimed
US-20060036098-A1 Carbonylamino-benzimidazole derivatives as androgen receptor modulators MERCK SHARP & DOHME CORP. 2006-02-16 US claimed
EP-1581217-A1 CARBONYLAMINO-BENZIMIDAZOLE DERIVATIVES AS ANDROGEN RECEPTOR MODULATORS Merck & Co., Inc. (US) 2005-10-05 EP claimed
WO-2004041277-A1 CARBONYLAMINO-BENZIMIDAZOLE DERIVATIVES AS ANDROGEN RECEPTOR MODULATORS MERCK & CO., INC. (US) 2004-05-21 WO claimed
US-7622592-B2 Carbonylamino-benzimidazole derivatives as androgen receptor modulators MERCK & CO., INC. (US) 2009-11-24 US disclosed
EP-1581217-A4 CARBONYLAMINO-BENZIMIDAZOLE DERIVATIVES AS ANDROGEN RECEPTOR MODULATORS MERCK & CO INC (US) 2007-07-11 EP disclosed
US-20060036098-A1 Carbonylamino-benzimidazole derivatives as androgen receptor modulators MERCK SHARP & DOHME CORP. 2006-02-16 US disclosed
EP-1581217-A1 CARBONYLAMINO-BENZIMIDAZOLE DERIVATIVES AS ANDROGEN RECEPTOR MODULATORS Merck & Co., Inc. (US) 2005-10-05 EP disclosed
WO-2004041277-A1 CARBONYLAMINO-BENZIMIDAZOLE DERIVATIVES AS ANDROGEN RECEPTOR MODULATORS MERCK & CO., INC. (US) 2004-05-21 WO 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 609/4885NAMPT 3989/4885

“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.