SCHEMBL3556910

SCHEMBL3556910

O=C(O)c1cccnc1C(=O)NCc1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.64
NSD2 O96028 1/20 0.62
USP2 O75604 1/20 0.59
APEX1 P27695 1/20 0.59
MAPK8 P45983 1/20 0.59
ATM Q13315 1/20 0.59
KDM4E B2RXH2 2/20 0.57
ALDH1A1 P00352 2/20 0.57
L3MBTL1 Q9Y468 2/20 0.57
CYP3A4 P08684 1/20 0.57
MAPT P10636 1/20 0.57
ALOX15 P16050 1/20 0.57
TSHR P16473 1/20 0.57
BLM P54132 1/20 0.57
AGER Q15109 1/20 0.57
NPSR1 Q6W5P4 1/20 0.57
EGLN1 Q9GZT9 1/20 0.56
GAA P10253 2/20 0.54
ASPH Q12797 1/20 0.54
KDM8 Q8N371 1/20 0.54

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
SCHEMBL3715714 1.00 KMT2A (0.64) KMT2ANSD2USP2APEX1MAPK8
SCHEMBL1724926 0.88 NSD2 (0.59) KMT2ANSD2USP2MAPK8ATM
SCHEMBL8154709 0.88 KMT2A (0.80) KMT2ANSD2USP2APEX1MAPK8
SCHEMBL28262630 0.85 KMT2A (0.60) KMT2ANSD2USP2KDM4EALDH1A1
SCHEMBL31026221 0.83 EGLN2 (0.68) KMT2ANSD2MAPK8ATMALDH1A1
SCHEMBL31026200 0.83 HTT (0.56) KMT2ANSD2MAPK8ATMKDM4E
SCHEMBL3958929 0.82 KMT2A (0.61) KMT2ANSD2MAPK8ATMKDM4E
SCHEMBL31026208 0.82 KMT2A (0.61) KMT2ANSD2MAPK8ATMALDH1A1
SCHEMBL7138975 0.82 KMT2A (0.61) KMT2ANSD2MAPK8ATMALDH1A1
SCHEMBL3182140 0.80 NSD2 (0.68) KMT2ANSD2USP2APEX1MAPK8

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7709644-B2 Process for the enantiomeric enrichment of cis-8-benzyl-7,9-dioxo-2,8-diazabicyclo[4.3.0]nonane LANXESS DEUTSCHLAND GMBH (DE) 2010-05-04 US claimed
US-20070213536-A1 Process for the enantiomeric enrichment of cis-8-benzyl-7,9-dioxo-2,8-diazabicyclo[4.3.0]nonane LANXESS DEUTSCHLAND GMBH (DE) 2007-09-13 US claimed
EP-1375501-B1 Process for enantiomeric enrichment of cis-8-benzyl-7,9-dioxo-2,8-diazabicyclo(4.3.0)nonane using simulated moving bed chromatography LANXESS DEUTSCHLAND GMBH (DE) 2005-11-02 EP claimed
US-20040044205-A1 Process for the enantiomeric enrichment of cis-8-benzyl-7,9-dioxo-2,8-diazabicyclo[4.3.0]nonane LANXESS DEUTSCHLAND GMBH (DE) 2004-03-04 US claimed
US-7709644-B2 Process for the enantiomeric enrichment of cis-8-benzyl-7,9-dioxo-2,8-diazabicyclo[4.3.0]nonane LANXESS DEUTSCHLAND GMBH (DE) 2010-05-04 US disclosed
US-20070213536-A1 Process for the enantiomeric enrichment of cis-8-benzyl-7,9-dioxo-2,8-diazabicyclo[4.3.0]nonane LANXESS DEUTSCHLAND GMBH (DE) 2007-09-13 US disclosed
US-20040044205-A1 Process for the enantiomeric enrichment of cis-8-benzyl-7,9-dioxo-2,8-diazabicyclo[4.3.0]nonane LANXESS DEUTSCHLAND GMBH (DE) 2004-03-04 US disclosed
US-6566523-B1 Reacting mixtures of enantiomers with (-)-2,3:4,6-di-O-isopropylidene-2-keto-L-gulonic acid (or its hydrates) to form salts BAYER AKTIENGESELLSCHAFT (DE) 2003-05-20 US disclosed
US-6458954-B2 HYDROGENATING A PYRIDINE COMPOUND USING HYDROGENATION CATALYSTS (PALLADIUM ON CARBON) AND AROMATIC HYDROCARBON SOLVENT (BENZENE, XYLENE) BAYER AKTIENGESELLSCHAFT (DE) 2002-10-01 US disclosed
US-20010056186-A1 Hydrogenating a pyridine compound using hydrogenation catalysts (palladium on carbon) and aromatic hydrocarbon solvent (benzene, xylene) LANXESS DEUTSCHLAND GMBH (DE) 2001-12-27 US disclosed
CN-1036005-C Pharmaceutical composition containing 7-bicyclic substituted-3-quinolone carboxylic acid derivative and process for preparing same BAYER AG (DE) 1997-10-01 CN disclosed
US-5607942-A BACTERICIDES BAYER AKTIENGESELLSCHAFT (DE) 1997-03-04 US disclosed
US-5416096-A 7-(1-pyrrolidinyl)-3-quinolone carboxylic acid derivatives as antibacterial agents and feed additives BAYER AKTIENGESELLSCHAFT (DE) 1995-05-16 US disclosed
CN-1027165-C Process for preparing 7-ring substituted-3-quinolone carboxylic acid derivatives BAYER AG (DE) 1994-12-28 CN disclosed
US-5059597-A Animal growth regulators; enterobacter BAYER AKTIENGESELLSCHAFT (DE) 1991-10-22 US disclosed
US-4990517-A 7-(1-pyrrolidinyl)-3-quinolone- and -naphthyridonecarboxylic acid derivatives as antibacterial agents and feed additives BAYER AKTIENGESELLSCHAFT (DE) 1991-02-05 US disclosed
CN-1039589-A 7- (1-pyrrolidinyl) -3-quinolone-and 1, 5-naphthyridonecarboxylic acid derivatives and process for preparing same BAYER AG (DE) 1990-02-14 CN 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 (3 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-20010056186-A1 Hydrogenating a pyridine compound using hydrogenation catalysts (palladium on carbon) and aromatic hydrocarbon solvent (benzene, xylene) HPD, AHR, HRH3 KMT2A 361/4885NSD2 220/4885USP2 1232/4885
US-20040044205-A1 Process for the enantiomeric enrichment of cis-8-benzyl-7,9-dioxo-2,8-diazabicyclo[4.3.0]nonane CYP1B1, DECR1, SPIN2B KMT2A 3034/4885NSD2 1825/4885USP2 971/4885
US-20070213536-A1 Process for the enantiomeric enrichment of cis-8-benzyl-7,9-dioxo-2,8-diazabicyclo[4.3.0]nonane CYP1B1, CYP8B1, CCR8 KMT2A 1869/4885NSD2 1337/4885USP2 993/4885

“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.