SCHEMBL4366744

SCHEMBL4366744

O=C(NCCc1ccccc1)Nc1ccc2[nH]c(-c3cscn3)nc2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 6/20 0.53
ROCK1 Q13464 5/20 0.53
METAP1 P53582 3/20 0.48
NPC1 O15118 4/20 0.48
RAB9A P51151 4/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
KDM4E B2RXH2 1/20 0.48
TP53 P04637 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
ADORA3 P0DMS8 1/20 0.48
CYP2D6 P10635 1/20 0.48
TSHR P16473 1/20 0.48
CYP2C19 P33261 1/20 0.48
METAP2 P50579 1/20 0.48
FKBP1A P62942 1/20 0.48
HIF1A Q16665 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
PTPN7 P35236 1/20 0.47

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
SCHEMBL4363701 0.90 ROCK2 (0.52) ROCK2ROCK1METAP1NPC1RAB9A
SCHEMBL5222448 0.87 CA12 (0.45) ROCK2ROCK1METAP1NPC1RAB9A
SCHEMBL4367821 0.85 EPHX1 (0.48) METAP1NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL4365335 0.83 METAP1 (0.53) ROCK2ROCK1METAP1NPC1RAB9A
SCHEMBL4364774 0.83 ROCK2 (0.51) ROCK2ROCK1METAP1NPC1RAB9A
SCHEMBL4366083 0.83 ROCK2 (0.51) ROCK2ROCK1METAP1NPC1RAB9A
SCHEMBL4364874 0.82 METAP1 (0.47) ROCK2ROCK1METAP1NPC1RAB9A
SCHEMBL11208569 0.81 METAP1 (0.55) METAP1NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL4366096 0.81 METAP1 (0.47) ROCK2ROCK1METAP1NPC1RAB9A
SCHEMBL4368840 0.81 METAP1 (0.47) ROCK2ROCK1METAP1NPC1RAB9A

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 12 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
US-7622592-B2 Carbonylamino-benzimidazole derivatives as androgen receptor modulators MERCK & CO., INC. (US) 2009-11-24 US disclosed
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 609/4885METAP1 3988/4885

“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.