SCHEMBL4367665

SCHEMBL4367665

O=C(Cc1ccc(-c2ccccc2)cc1)Nc1ccc2nc(-c3cscn3)[nH]c2c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP1 P53582 5/20 0.56
KDR P35968 3/20 0.55
NAMPT P43490 1/20 0.49
MMP2 P08253 3/20 0.48
MMP9 P14780 3/20 0.48
MMP8 P22894 3/20 0.48
MMP13 P45452 3/20 0.48
METAP2 P50579 5/20 0.48
RAB9A P51151 4/20 0.48
KDM4E B2RXH2 3/20 0.48
NPC1 O15118 3/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
TDP1 Q9NUW8 2/20 0.48
TP53 P04637 2/20 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

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
SCHEMBL4370849 0.85 MEN1 (0.53) METAP1KDRMETAP2SMN1; SMN2POLB
SCHEMBL4371286 0.85 MMP2 (0.62) METAP1MMP2MMP9MMP8MMP13
SCHEMBL4375655 0.83 MMP2 (0.64) METAP1MMP2MMP9MMP8MMP13
SCHEMBL4371250 0.83 METAP1 (0.58) METAP1MMP2MMP9MMP8MMP13
SCHEMBL4371759 0.83 MAPT (0.59) METAP1METAP2RAB9AKDM4ENPC1
SCHEMBL13624132 0.82 METAP1 (0.64) METAP1KDRMETAP2RAB9AKDM4E
SCHEMBL11208586 0.81 METAP1 (0.63) METAP1METAP2RAB9AKDM4ENPC1
SCHEMBL4363660 0.81 METAP1 (0.56) METAP1MMP2MMP9MMP8MMP13
SCHEMBL4371202 0.81 KDR (0.55) METAP1KDRMETAP2RAB9AKDM4E
SCHEMBL4363482 0.81 METAP1 (0.52) METAP1KDRMETAP2RAB9AKDM4E

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
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
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 METAP1 3988/4885KDR 2254/4885NAMPT 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.