SCHEMBL4371759

SCHEMBL4371759

O=C(COc1ccccc1)Nc1ccc2nc(-c3cscn3)[nH]c2c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.59
KDM4E B2RXH2 6/20 0.59
SMN1; SMN2 Q16637 6/20 0.59
NPC1 O15118 5/20 0.59
RAB9A P51151 5/20 0.59
MEN1 O00255 4/20 0.59
KMT2A Q03164 4/20 0.59
ALDH1A1 P00352 4/20 0.59
POLB P06746 3/20 0.59
LMNA P02545 3/20 0.59
HPGD P15428 2/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
GLA P06280 1/20 0.59
GAA P10253 1/20 0.59
HTT P42858 1/20 0.59
METAP1 P53582 5/20 0.58
TP53 P04637 5/20 0.51
NPSR1 Q6W5P4 1/20 0.51
METAP2 P50579 5/20 0.50
CYP3A4 P08684 2/20 0.50

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
SCHEMBL4363660 0.90 METAP1 (0.56) MAPTKDM4ESMN1; SMN2NPC1RAB9A
SCHEMBL4371286 0.84 MMP2 (0.62) KDM4ESMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL4371250 0.84 METAP1 (0.58) MAPTKDM4ESMN1; SMN2NPC1RAB9A
SCHEMBL13624132 0.83 METAP1 (0.64) MAPTKDM4ESMN1; SMN2NPC1RAB9A
SCHEMBL11208586 0.83 METAP1 (0.63) MAPTKDM4ESMN1; SMN2NPC1RAB9A
SCHEMBL4375655 0.83 MMP2 (0.64) KDM4ESMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL4367665 0.83 METAP1 (0.56) MAPTKDM4ESMN1; SMN2NPC1RAB9A
SCHEMBL4371979 0.82 METAP1 (0.55) KDM4ESMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL4367716 0.82 METAP1 (0.55) KDM4ESMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL4368621 0.82 METAP1 (0.55) KDM4ESMN1; SMN2NPC1RAB9AALDH1A1

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
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 MAPT 2814/4885KDM4E 825/4885SMN1; SMN2 2413/4885

“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.