SCHEMBL345734

SCHEMBL345734

NC(C(=O)O)n1nnc2ccccc21

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.50
APAF1 O14727 1/20 0.50
GAA P10253 6/20 0.49
MGAM O43451 5/20 0.49
AMY1A P0DUB6 5/20 0.49
SI P14410 5/20 0.49
MGAM2 Q2M2H8 5/20 0.49
SLC9A1 P19634 3/20 0.49
F2 P00734 2/20 0.49
HPGD P15428 1/20 0.49
KMT2A Q03164 1/20 0.49
EGLN3 Q9H6Z9 1/20 0.46
MAPT P10636 2/20 0.46
MAPK1 P28482 1/20 0.46
ATM Q13315 1/20 0.46
ALDH1A1 P00352 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46

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
SCHEMBL9091462 0.81 POLB (0.51) POLBAPAF1GAAMGAMAMY1A
SCHEMBL27807168 0.80 POLB (0.50) POLBAPAF1GAAMGAMAMY1A
SCHEMBL5790948 0.80 POLB (0.57) POLBAPAF1GAAMGAMAMY1A
SCHEMBL20294466 0.78 ALDH1A1 (0.55) POLBGAAMGAMAMY1ASI
SCHEMBL2721771 0.78 ALDH1A1 (0.55) POLBGAAMGAMAMY1ASI
SCHEMBL13261047 0.78 POLB (0.48) POLBAPAF1GAAMGAMAMY1A
SCHEMBL3544944 0.77 POLB (0.48) POLBAPAF1GAAMGAMAMY1A
SCHEMBL17464681 0.76 POLB (0.50) POLBAPAF1GAAMGAMAMY1A
SCHEMBL12669090 0.76 POLB (0.47) POLBAPAF1GAAMGAMAMY1A
SCHEMBL10083070 0.76 POLB (0.50) POLBAPAF1GAAMGAMAMY1A

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
EP-0715624-B1 PROCESS FOR THE PREPARATION OF BENZODIAZEPINE COMPOUNDS USEFUL AS ANTAGONISTS OF CCK OR OF GASTRINE YAMANOUCHI PHARMA CO LTD (JP) 1998-04-08 EP claimed
US-5728829-A MULTISTAGE REACTION OF N-PROTECTED BENZOTRIAZOLYL GLYCINE DERIVATIVE WITH AMINOKETONE, THEN REACTION WITH AMMONIA AND ACID CATALYZED CYCLIZATION FERRING-RESEARCH LIMITED (GB) 1998-03-17 US claimed
JP-H09504005-A 1997-04-22 JP claimed
EP-0715624-A1 PROCESS FOR THE PREPARATION OF BENZODIAZEPINE COMPOUNDS USEFUL AS ANTAGONISTS OF CCK OR OF GASTRINE YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1996-06-12 EP claimed
WO-1995006040-A1 BENZODIAZEPINE COMPOUNDS USEFUL AS ANTAGONISTS OF CCK OR OF GASTRINE YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1995-03-02 WO claimed
US-20120015938-A1 1,4-BENZODIAZEPIN-2-ON DERIVATIVES MSD K.K. (JP) 2012-01-19 US disclosed
EP-2398781-A1 1,4-BENZODIAZEPIN-2-ON DERIVATIVES MSD K.K. (JP) 2011-12-28 EP disclosed
WO-2010095766-A1 1,4-BENZODIAZEPIN-2-ON DERIVATIVES BANYU PHARMACEUTICAL CO.,LTD. (JP) 2010-08-26 WO disclosed
EP-0715624-B1 PROCESS FOR THE PREPARATION OF BENZODIAZEPINE COMPOUNDS USEFUL AS ANTAGONISTS OF CCK OR OF GASTRINE YAMANOUCHI PHARMA CO LTD (JP) 1998-04-08 EP disclosed
US-5728829-A MULTISTAGE REACTION OF N-PROTECTED BENZOTRIAZOLYL GLYCINE DERIVATIVE WITH AMINOKETONE, THEN REACTION WITH AMMONIA AND ACID CATALYZED CYCLIZATION FERRING-RESEARCH LIMITED (GB) 1998-03-17 US disclosed
EP-0715624-A1 PROCESS FOR THE PREPARATION OF BENZODIAZEPINE COMPOUNDS USEFUL AS ANTAGONISTS OF CCK OR OF GASTRINE YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1996-06-12 EP disclosed
WO-1995006040-A1 BENZODIAZEPINE COMPOUNDS USEFUL AS ANTAGONISTS OF CCK OR OF GASTRINE YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1995-03-02 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-20120015938-A1 1,4-BENZODIAZEPIN-2-ON DERIVATIVES DGAT1, DGAT2, SOAT1 POLB 2943/4885APAF1 4061/4885GAA 1094/4885

“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.