SCHEMBL4367768

SCHEMBL4367768

CN(C(=O)Nc1ccc2[nH]c(-c3cscn3)[n+](OC(=O)C(F)(F)F)c2c1)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
APEX1 P27695 1/20 0.33
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GLA P06280 1/20 0.32
GAA P10253 1/20 0.32
HPGD P15428 1/20 0.32
RAF1 P04049 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
MCHR1 Q99705 1/20 0.31
POLB P06746 1/20 0.30
MAPT P10636 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
SCHEMBL4379300 0.92 MAPT (0.33) KDM4EALDH1A1RAF1POLBMAPT
SCHEMBL4367683 0.90 LIPE (0.33) KDM4ESMN1; SMN2MAPT
SCHEMBL4369545 0.90 IMPDH2 (0.34) KDM4ESMN1; SMN2POLBMAPT
SCHEMBL4369519 0.89 MAPT (0.43) KDM4EALDH1A1GAARAF1SMN1; SMN2
SCHEMBL4375627 0.88 IMPDH2 (0.32) SMN1; SMN2POLBMAPT
SCHEMBL4368730 0.88 METAP2 (0.32) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL4369416 0.88 POLB (0.37) KDM4ERAF1POLBMAPT
SCHEMBL4367530 0.88 KDR (0.38) KDM4ESMN1; SMN2
SCHEMBL4366517 0.87 ROCK2 (0.34) APEX1KDM4EPOLB
SCHEMBL5331819 0.85

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 APEX1 315/4885KDM4E 825/4885ALDH1A1 916/4885

“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.