SCHEMBL4371979

SCHEMBL4371979

C[C@H](CC(=O)Nc1ccc2nc(-c3cscn3)[nH]c2c1)c1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP1 P53582 7/20 0.55
SMN1; SMN2 Q16637 5/20 0.50
RAB9A P51151 5/20 0.50
NPC1 O15118 4/20 0.50
HTT P42858 1/20 0.50
METAP2 P50579 5/20 0.49
TP53 P04637 3/20 0.48
KDM4E B2RXH2 3/20 0.48
ALDH1A1 P00352 2/20 0.48
HPGD P15428 2/20 0.48
HSD17B10 Q99714 1/20 0.48
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
ADORA3 P0DMS8 1/20 0.47
CYP2D6 P10635 1/20 0.47
TSHR P16473 1/20 0.47
CYP2C19 P33261 1/20 0.47
FKBP1A P62942 1/20 0.47
HIF1A Q16665 1/20 0.47
TDP1 Q9NUW8 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
SCHEMBL4367716 1.00 METAP1 (0.55) METAP1SMN1; SMN2RAB9ANPC1HTT
SCHEMBL4368621 1.00 METAP1 (0.55) METAP1SMN1; SMN2RAB9ANPC1HTT
Trifluoroacetic Acid SCHEMBL5257687 0.95 METAP1 (0.50) METAP1SMN1; SMN2RAB9ANPC1HTT
SCHEMBL4371250 0.92 METAP1 (0.58) METAP1SMN1; SMN2RAB9ANPC1METAP2
SCHEMBL29793696 0.90 METAP1 (0.53) METAP1SMN1; SMN2RAB9ANPC1METAP2
SCHEMBL16583699 0.89 METAP1 (0.45) METAP1SMN1; SMN2NPC1METAP2KDM4E
SCHEMBL4368578 0.86 METAP1 (0.58) METAP1SMN1; SMN2RAB9ANPC1METAP2
SCHEMBL4371727 0.84 METAP1 (0.48) METAP1SMN1; SMN2RAB9ANPC1HTT
SCHEMBL13624155 0.84 METAP1 (0.56) METAP1SMN1; SMN2RAB9ANPC1METAP2
SCHEMBL4363565 0.84 METAP1 (0.56) METAP1SMN1; SMN2RAB9ANPC1METAP2

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 11 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
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 3988/4885SMN1; SMN2 2413/4885RAB9A 4310/4885

“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.