SCHEMBL5248985

SCHEMBL5248985

O=[N+]([O-])c1ccc(Cc2ccccc2)c([N+](=O)[O-])c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.59
ALDH1A1 P00352 5/20 0.56
MAPK1 P28482 2/20 0.56
HIF1A Q16665 2/20 0.56
CYP2C19 P33261 2/20 0.56
HSP90AA1 P07900 1/20 0.56
TLR9 Q9NR96 1/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2D6 P10635 1/20 0.56
CYP2C9 P11712 1/20 0.56
CYP19A1 P11511 2/20 0.52
CYP11B1 P15538 2/20 0.52
CYP11B2 P19099 2/20 0.52
SIGMAR1 Q99720 1/20 0.49
KDM4E B2RXH2 2/20 0.49
MEN1 O00255 2/20 0.49
MAPT P10636 2/20 0.49
KMT2A Q03164 2/20 0.49
RIPK1 Q13546 1/20 0.49
TDP1 Q9NUW8 1/20 0.49

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
Methoxymethane SCHEMBL27522023 0.94 CYP1A2 (0.54) CYP1A2ALDH1A1MAPK1HIF1ACYP2C19
SCHEMBL11778027 0.90 CYP1A2 (0.58) CYP1A2ALDH1A1MAPK1HIF1ACYP2C19
SCHEMBL1275610 0.87 CYP1A2 (0.56) CYP1A2ALDH1A1MAPK1HIF1ACYP2C19
SCHEMBL28021054 0.87 CYP1A2 (0.59) CYP1A2ALDH1A1MAPK1HIF1ACYP2C19
SCHEMBL5333075 0.86 CYP1A2 (0.66) CYP1A2ALDH1A1MAPK1HIF1ACYP2C19
SCHEMBL11429326 0.85 CYP1A2 (0.57) CYP1A2ALDH1A1MAPK1HIF1ACYP2C19
SCHEMBL10038667 0.84 POLB (0.63) CYP1A2ALDH1A1MAPK1HIF1ACYP19A1
SCHEMBL27675226 0.84 CYP1A2 (0.56) CYP1A2ALDH1A1MAPK1HIF1ACYP2C19
SCHEMBL11784187 0.83 CYP1A2 (0.51) CYP1A2ALDH1A1MAPK1HIF1ACYP2C19
SCHEMBL28021053 0.83 CYP1A2 (0.51) CYP1A2ALDH1A1MAPK1HIF1ACYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160077070-A1 COLORIMETRIC SENSORS FOR ALKYLATING AGENTS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2016-03-17 US disclosed
EP-1361225-B1 COMPOUNDS SUBSTITUTED WITH BICYCLIC AMINO GROUPS SANKYO CO (JP) 2007-11-07 EP disclosed
US-7122666-B2 Heteroaryl-substituted pyrrole derivatives, their preparation and their therapeutic uses SANKYO COMPANY, LIMITED (JP) 2006-10-17 US disclosed
US-7091352-B2 Compounds substituted with bicyclic amino groups SANKYO COMPANY, LIMITED (JP) 2006-08-15 US disclosed
US-20060128756-A1 Heteroaryl-substituted pyrrole derivatives, their preparation and their therapeutic uses SANKYO COMPANY, LIMITED (JP) 2006-06-15 US disclosed
EP-1377577-B1 PYRROLE DERIVATES FOR TREATING CYTOKINE MEDIATED DISEASES SANKYO CO (JP) 2006-06-14 EP disclosed
US-20050283006-A1 Heteroaryl-substituted pyrrole derivatives, their preparation and their therapeutic uses SANKYO COMPANY, LIMITED (JP) 2005-12-22 US disclosed
US-20040147525-A1 Compounds substituted with bicyclic amino groups SANKYO COMPANY, LIMITED (JP) 2004-07-29 US disclosed
EP-1070711-B1 Heteroaryl-substituted pyrrole derivatives, their preparation and their therapeutic uses SANKYO CO (JP) 2004-04-14 EP disclosed
US-20040054173-A1 Heteroaryl-substituted pyrrole derivatives, their preparation and their therapeutic uses SANKYO COMPANY, LIMITED (JP) 2004-03-18 US disclosed
EP-1377577-A1 PYRROLE DERIVATES FOR TREATING CYTOKINE MEDIATED DISEASES Sankyo Company Limited (JP) 2004-01-07 EP disclosed
EP-1361225-A1 COMPOUNDS SUBSTITUTED WITH BICYCLIC AMINO GROUPS Sankyo Company, Limited (JP) 2003-11-12 EP disclosed
EP-1352906-A1 COMPOSITIONS FOR PREVENTION OR TREATMENT OF HEPATOPATHY Sankyo Company, Limited (JP) 2003-10-15 EP disclosed
EP-1243589-A1 Heteroaryl-substituted pyrrole derivates, their preparation and their therapeutic uses Sankyo Company Limited (JP) 2002-09-25 EP disclosed
WO-2002057264-A1 PYRROLE DERIVATES FOR TREATING CYTOKINE MEDIATED DISEASES SANKYO COMPANY LIMITED (JP) 2002-07-25 WO disclosed
EP-1070711-A2 Heteroaryl-substituted pyrrole derivatives, their preparation and their therapeutic uses Sankyo Company Limited (JP) 2001-01-24 EP disclosed
US-5792840-A SUBSTITUTED GLUCOPYRANOSYL PHOSPHATES SANKYO COMPANY, LIMITED (JP) 1998-08-11 US disclosed
EP-0437016-B1 Lipid A analogues having immunoactivating and anti-tumour activity SANKYO CO (JP) 1996-05-01 EP disclosed
EP-0437016-A2 Lipid A analogues having immunoactivating and anti-tumour activity Sankyo Company Limited (JP) 1991-07-17 EP disclosed
CN-1040982-A Nitragin (rhizoxin) derivative and as antineoplastic agent SANKYO CO (JP) 1990-04-04 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 (4 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-20060128756-A1 Heteroaryl-substituted pyrrole derivatives, their preparation and their therapeutic uses IL2, IL1A, IL1B CYP1A2 665/4885ALDH1A1 871/4885MAPK1 2616/4885
US-20050283006-A1 Heteroaryl-substituted pyrrole derivatives, their preparation and their therapeutic uses IL2, CNKSR1, IL1A CYP1A2 558/4885ALDH1A1 928/4885MAPK1 2990/4885
US-20040054173-A1 Heteroaryl-substituted pyrrole derivatives, their preparation and their therapeutic uses IL2, IL1B, IL1A CYP1A2 397/4885ALDH1A1 1023/4885MAPK1 1943/4885
US-20040147525-A1 Compounds substituted with bicyclic amino groups IL2, IL1B, IL4I1 CYP1A2 174/4885ALDH1A1 507/4885MAPK1 733/4885

“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.