SCHEMBL4388940

SCHEMBL4388940

O=C(Nc1ccccc1)Nc1ccccc1[N+](=O)[O-]

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 4/20 0.78
CXCR1 P25024 3/20 0.78
LMNA P02545 5/20 0.76
MAPT P10636 5/20 0.75
ALDH1A1 P00352 3/20 0.75
GAA P10253 3/20 0.75
POLB P06746 2/20 0.75
APP P05067 1/20 0.69
MEN1 O00255 5/20 0.63
KMT2A Q03164 5/20 0.63
NPC1 O15118 2/20 0.62
MAPK1 P28482 2/20 0.62
CASP7 P55210 1/20 0.62
TDP1 Q9NUW8 1/20 0.62
L3MBTL1 Q9Y468 1/20 0.62
SMN1; SMN2 Q16637 3/20 0.60
HTT P42858 2/20 0.60
RAB9A P51151 1/20 0.60
CA12 O43570 2/20 0.57
CA9 Q16790 2/20 0.57

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
SCHEMBL11332310 0.91 KMT2A (0.73) CXCR2CXCR1LMNAMAPTALDH1A1
SCHEMBL31061375 0.88 CXCR2 (1.00) CXCR2CXCR1LMNAMAPTALDH1A1
SCHEMBL4364384 0.88 CXCR2 (0.74) CXCR2CXCR1LMNAMAPTALDH1A1
SCHEMBL14514336 0.88 NPC1 (0.64) CXCR2CXCR1LMNAMAPTALDH1A1
SCHEMBL7491596 0.88 CXCR2 (1.00) CXCR2CXCR1LMNAMAPTALDH1A1
SCHEMBL1311622 0.88 CXCR1 (0.62) CXCR2CXCR1LMNAMAPTALDH1A1
SCHEMBL5852169 0.88 LMNA (0.68) CXCR2CXCR1LMNAMAPTALDH1A1
SCHEMBL15306504 0.87 CXCR2 (0.65) CXCR2CXCR1LMNAMAPTALDH1A1
SCHEMBL4121951 0.84 ABCG2 (0.67) CXCR2CXCR1LMNAMAPTALDH1A1
SCHEMBL113558 0.82 MEN1 (0.71) LMNAMAPTALDH1A1GAAPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0496595-B1 Aniline derivatives and process for producing the same NISSAN CHEMICAL IND LTD (JP) 1995-09-06 EP claimed
US-5416236-A Sulfonylation, reduction and carbamylation in multistage process NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1995-05-16 US claimed
EP-0496595-A1 Aniline derivatives and process for producing the same NISSAN CHEMICAL INDUSTRIES, LIMITED (JP) 1992-07-29 EP claimed
US-20130267712-A1 AROMATIC KETONE SYNTHESIS WITH AMIDE REAGENTS AND RELATED REACTIONS BOARD OF TRUSTEES OF NORTHERN ILLINOIS UNIVERSITY (US) 2013-10-10 US disclosed
US-20130267712-A1 AROMATIC KETONE SYNTHESIS WITH AMIDE REAGENTS AND RELATED REACTIONS BOARD OF TRUSTEES OF NORTHERN ILLINOIS UNIVERSITY (US) 2013-10-10 US disclosed
US-7629002-B2 Antimicrobial polymeric compositions and method of treatment using them CHEMEQ LTD. (AU) 2009-12-08 US disclosed
EP-1474155-A4 METHOD OF TREATMENT OF GASTROINTESTINAL DISEASE AND POLYMERIC COMPOSITION FOR USE THEREIN CHEMEQ LTD (AU) 2008-04-16 EP disclosed
EP-1474155-A1 METHOD OF TREATMENT OF GASTROINTESTINAL DISEASE AND POLYMERIC COMPOSITION FOR USE THEREIN CHEMEQ LTD. (AU) 2004-11-10 EP disclosed
US-20030195131-A1 Antimicrobial polymeric compositions and method of treatment using them CHEMEQ LTD. (AU) 2003-10-16 US disclosed
WO-2003061672-A1 METHOD OF TREATMENT OF GASTROINTESTINAL DISEASE AND POLYMERIC COMPOSITION FOR USE THEREIN CHEMEQ LTD (AU) 2003-07-31 WO disclosed
US-6268496-B1 GAMMA-AMINOBUTYRIC ACID RECEPTOR LIGANDS NEUROGEN CORPORATION 2001-07-31 US disclosed
EP-0555391-B1 CERTAIN IMIDAZOQUINOXALINES; A NEW CLASS OF GABA BRAIN RECEPTOR LIGANDS NEUROGEN CORP (US) 2000-07-12 EP disclosed
US-5744602-A PSYCHOLOGICAL DISORDERS, ANTICONVULSANTS NEUROGEN CORPORATION (US) 1998-04-28 US disclosed
EP-0496595-B1 Aniline derivatives and process for producing the same NISSAN CHEMICAL IND LTD (JP) 1995-09-06 EP disclosed
US-5416236-A Sulfonylation, reduction and carbamylation in multistage process NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1995-05-16 US disclosed
EP-0555391-A1 CERTAIN IMIDAZOQUINOXALINES; A NEW CLASS OF GABA BRAIN RECEPTOR LIGANDS NEUROGEN CORPORATION (US) 1993-08-18 EP disclosed
EP-0496595-A1 Aniline derivatives and process for producing the same NISSAN CHEMICAL INDUSTRIES, LIMITED (JP) 1992-07-29 EP disclosed
US-5130430-A Anxiety, sleep disorders or seizures NEUROGEN CORPORATION (US) 1992-07-14 US disclosed
WO-1992007853-A1 CERTAIN IMIDAZOQUINOXALINES; A NEW CLASS OF GABA BRAIN RECEPTOR LIGANDS NEUROGEN CORPORATION (US) 1992-05-14 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-20130267712-A1 AROMATIC KETONE SYNTHESIS WITH AMIDE REAGENTS AND RELATED REACTIONS NAAA, AADAC, NISCH CXCR2 4070/4885CXCR1 4077/4885LMNA 3942/4885

“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.