SCHEMBL4427396

SCHEMBL4427396

O=c1ccc2ccc([N+](=O)[O-])cc2[nH]1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 2/20 0.58
GRIA2 P42262 2/20 0.58
GRIA3 P42263 2/20 0.58
GRIA4 P48058 2/20 0.58
MAPT P10636 3/20 0.53
LMNA P02545 2/20 0.53
CYP3A4 P08684 1/20 0.53
ALOX15 P16050 1/20 0.53
NOS1 P29475 1/20 0.53
ALDH1A1 P00352 4/20 0.53
PARP1 P09874 1/20 0.51
TDP1 Q9NUW8 1/20 0.50
DAO P14920 1/20 0.50
HRH4 Q9H3N8 1/20 0.48
NPC1 O15118 1/20 0.47
MMP2 P08253 1/20 0.47
MMP9 P14780 1/20 0.47
MMP8 P22894 1/20 0.47
CASP3 P42574 1/20 0.47
HTT P42858 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
SCHEMBL1082689 0.87 GRIA1 (0.56) GRIA1GRIA2GRIA3GRIA4MAPT
SCHEMBL1082243 0.78 CA12 (0.47) GRIA1GRIA2GRIA3GRIA4MAPT
SCHEMBL2616916 0.77 PARP1 (0.55) GRIA1GRIA2GRIA3GRIA4MAPT
SCHEMBL5150341 0.76 MAPT (0.51) GRIA1GRIA2GRIA3GRIA4MAPT
SCHEMBL4969287 0.76 MAPT (0.51) GRIA1GRIA2GRIA3GRIA4MAPT
SCHEMBL1630724 0.76 MAPT (0.51) GRIA1GRIA2GRIA3GRIA4MAPT
SCHEMBL3998262 0.76 MAPT (0.59) GRIA1GRIA2GRIA3GRIA4MAPT
SCHEMBL7257404 0.76 GRIA1 (0.60) GRIA1GRIA2GRIA3GRIA4MAPT
SCHEMBL3588993 0.76 GRIA1 (0.60) GRIA1GRIA2GRIA3GRIA4MAPT
SCHEMBL29904251 0.76 MAPT (0.54) GRIA1GRIA2GRIA3GRIA4MAPT

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6114352-A Quinolinone derivative and anti-allergic agent with said quinolinone derivative as the active ingredient DAINIPPON INK AND CHEMICALS, INC. (JP) 2000-09-05 US claimed
EP-0785190-B1 Quinolinone derivative and antiallergic agent with said quinolinone derivative as the active ingredient DAINIPPON INK & CHEMICALS (JP) 2000-08-16 EP claimed
US-5942521-A Quinolinone derivative and anti-allergic agent with said quinolinone derivative as the active ingredient DAINIPPON INK AND CHEMICALS, INC. (JP) 1999-08-24 US claimed
EP-0785190-A2 Quinolinone derivative and antiallergic agent with said quinolinone derivative as the active ingredient DAINIPPON INK AND CHEMICALS, INC. (JP) 1997-07-23 EP claimed
US-7538121-B2 Vanilloid receptor modulators GLAXO GROUP LIMITED (GB) 2009-05-26 US disclosed
EP-2033953-A1 Vanilloid receptor modulators Glaxo Group Limited (GB) 2009-03-11 EP disclosed
US-20060142333-A1 Vanilloid receptor modulators MACDONALD GREGOR J 2006-06-29 US disclosed
CN-1158265-C Quinoline ketone derivant and antianaphylaction using same as active substance ���ձ���ī��ѧ��ҵ��ʽ���� 2004-07-21 CN disclosed
WO-2003103668-A1 PYRIDIN-2-ONE AND QUINOLIN-2-ONE DERIVATIVES, PREPARATION THEREOF AND USE THEREOF AS ANTIBACTERIALS KARO BIO AB (SE) 2003-12-18 WO disclosed
CN-1095834-C Quinolinone derivatives and antiallergic agent containing said quinolinone derivatives as active ingredient DAINIPPON INK & CHEMICALS (JP) 2002-12-11 CN disclosed
CN-1275564-A Quinoline ketone derivant and antianaphylaction using same as active substance DAINIPPON INK & CHEMICALS (JP) 2000-12-06 CN disclosed
US-6114352-A Quinolinone derivative and anti-allergic agent with said quinolinone derivative as the active ingredient DAINIPPON INK AND CHEMICALS, INC. (JP) 2000-09-05 US disclosed
EP-0785190-B1 Quinolinone derivative and antiallergic agent with said quinolinone derivative as the active ingredient DAINIPPON INK & CHEMICALS (JP) 2000-08-16 EP disclosed
US-5942521-A Quinolinone derivative and anti-allergic agent with said quinolinone derivative as the active ingredient DAINIPPON INK AND CHEMICALS, INC. (JP) 1999-08-24 US disclosed
US-5942521-A Quinolinone derivative and anti-allergic agent with said quinolinone derivative as the active ingredient DAINIPPON INK AND CHEMICALS, INC. (JP) 1999-08-24 US disclosed
CN-1163268-A Quinolinone derivatives and antiallergic agent containing said quinolinone derivatives as active ingredient LAINIPPON INK AND CHEMICALC IN (JP) 1997-10-29 CN disclosed
EP-0785190-A2 Quinolinone derivative and antiallergic agent with said quinolinone derivative as the active ingredient DAINIPPON INK AND CHEMICALS, INC. (JP) 1997-07-23 EP disclosed
EP-0785190-A2 Quinolinone derivative and antiallergic agent with said quinolinone derivative as the active ingredient DAINIPPON INK AND CHEMICALS, INC. (JP) 1997-07-23 EP disclosed
WO-1997005114-A1 QUINOLONE SULFONIMIDES HAVING LEUKOTRIENE-ANTAGONISTIC ACTION LABORATORIOS MENARINI S.A. (ES) 1997-02-13 WO disclosed
WO-1997003967-A1 SUBSTITUTED AROMATIC COMPOUNDS AND THEIR PHARMACEUTICAL USE RHONE-POULENC RORER LIMITED (GB) 1997-02-06 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-20060142333-A1 Vanilloid receptor modulators TRPV1, NPSR1, TRPV3 GRIA1 1008/4885GRIA2 1329/4885GRIA3 923/4885

“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.