SCHEMBL6292292

SCHEMBL6292292

O=C(O)Cc1ccc([N+](=O)[O-])cc1CC(=O)O

nearest known ligand 0.75

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.75
ALDH1A1 P00352 3/20 0.46
TDP1 Q9NUW8 2/20 0.46
CYP3A4 P08684 1/20 0.46
ALOX15 P16050 1/20 0.46
AMY1A P0DUB6 1/20 0.45
MAPT P10636 2/20 0.45
TP53 P04637 3/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
HTT P42858 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
LMNA P02545 1/20 0.43
PTGDR2 Q9Y5Y4 1/20 0.43
GPR35 Q9HC97 2/20 0.43
HPGD P15428 1/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
CYP2C19 P33261 1/20 0.42

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
SCHEMBL24773996 0.91 CYP1A2 (0.69) CYP1A2ALDH1A1TDP1CYP3A4ALOX15
SCHEMBL27352311 0.91 CYP1A2 (0.69) CYP1A2ALDH1A1TDP1CYP3A4ALOX15
SCHEMBL6037267 0.87 CYP1A2 (0.73) CYP1A2ALDH1A1TDP1CYP3A4ALOX15
SCHEMBL4236872 0.86 CYP1A2 (0.66) CYP1A2ALDH1A1TP53MEN1KMT2A
SCHEMBL865986 0.86 CYP1A2 (1.00) CYP1A2ALDH1A1TDP1MAPTTP53
SCHEMBL3291900 0.86 CYP1A2 (1.00) CYP1A2ALDH1A1TDP1MAPTTP53
SCHEMBL4686532 0.86 CYP1A2 (0.66) CYP1A2ALDH1A1TP53MEN1KMT2A
SCHEMBL8372937 0.86 CYP1A2 (0.66) CYP1A2ALDH1A1TDP1CYP3A4ALOX15
SCHEMBL2528182 0.84 CYP1A2 (0.64) CYP1A2ALDH1A1CYP3A4MAPTTP53
SCHEMBL1122546 0.84 CYP1A2 (0.69) CYP1A2ALDH1A1TDP1CYP3A4ALOX15

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-20160159774-A1 HETEROARYL COMPOUNDS AND USES THEREOF CELGENE CAR LLC (BM) 2016-06-09 US disclosed
WO-2016090079-A1 HETEROARYL COMPOUNDS AND USES THEREOF CELGENE AVILOMICS RESEARCH, INC. (US) 2016-06-09 WO disclosed
WO-2016090079-A1 HETEROARYL COMPOUNDS AND USES THEREOF CELGENE AVILOMICS RESEARCH, INC. (US) 2016-06-09 WO disclosed
US-20110130383-A1 Use of Ion Channel Modulators in the Prophylaxis and Treatment of Inflammatory and Immunological Diseases LECTUS THERAPEUTICS LIMITED (GB) 2011-06-02 US disclosed
US-20110130383-A1 Use of Ion Channel Modulators in the Prophylaxis and Treatment of Inflammatory and Immunological Diseases LECTUS THERAPEUTICS LIMITED (GB) 2011-06-02 US disclosed
US-20090318423-A1 Ion Channel Modulators & Uses Thereof LECTUS THERAPEUTICS LIMITED (GB) 2009-12-24 US disclosed
US-20090318423-A1 Ion Channel Modulators & Uses Thereof LECTUS THERAPEUTICS LIMITED (GB) 2009-12-24 US disclosed
WO-2008038053-A1 ION CHANNEL MODULATORS & USES THEREOF LECTUS THERAPEUTICS LIMITED (GB) 2008-04-03 WO disclosed
WO-2008038051-A2 USE OF ION CHANNEL MODULATORS IN THE PROPHYLAXIS AND TREATMENT OF INFLAMMATORY AND IMMUNOLOGICAL DISEASES LECTUS THERAPEUTICS LIMITED (GB) 2008-04-03 WO disclosed
US-6972286-B2 Oxazolidinones having a benzannulated 6- or 7-membered heterocycle PHARMACIA AND UPJOHN COMPANY (US) 2005-12-06 US disclosed
US-20040186293-A1 Oxazolidinones having a benzannulated 6- or 7-membered heterocycle JOHNSON PAUL D (US) 2004-09-23 US disclosed
US-20040176609-A1 Oxazolidinones having a benzannulated 6- or 7-membered heterocycle JOHNSON PAUL D (US) 2004-09-09 US disclosed
EP-1337530-A1 OXAZOLIDINONES HAVING A BENZANNULATED 6-OR 7-MEMBERED HETEROCYCLE AS ANTIBACTERIAL AGENTS Pharmacia & Upjohn Company (US) 2003-08-27 EP disclosed
US-20020133021-A1 Oxazolidinones having a benzannulated 6- or 7-membered heterocycle PHARMACIA & UPJOHN COMPANY 2002-09-19 US disclosed
WO-2002059115-A1 OXAZOLIDINONES HAVING A BENZANNULATED 6-OR 7-MEMBERED HETEROCYCLE AS ANTIBACTERIAL AGENTS PHARMACIA & UPJOHN COMPANY (US) 2002-08-01 WO disclosed
EP-0777667-A1 CYCLIC BENZAZEPINE UREA DERIVATIVES WITH AGGREGATION-INHIBITING EFFECT Dr. Karl Thomae GmbH (DE) 1997-06-11 EP disclosed
WO-1996005194-A1 CYCLIC BENZAZEPINE UREA DERIVATIVES WITH AGGREGATION-INHIBITING EFFECT DR. KARL THOMAE GMBH (DE) 1996-02-22 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 (6 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-20020133021-A1 Oxazolidinones having a benzannulated 6- or 7-membered heterocycle OXA1L, CDK16, MT-ND6 CYP1A2 1085/4885ALDH1A1 744/4885TDP1 4072/4885
US-20090318423-A1 Ion Channel Modulators & Uses Thereof KCNH3, KCNN3, KCNH2 CYP1A2 506/4885ALDH1A1 1965/4885TDP1 4039/4885
US-20040186293-A1 Oxazolidinones having a benzannulated 6- or 7-membered heterocycle OXA1L, CDK16, MT-ND6 CYP1A2 1085/4885ALDH1A1 744/4885TDP1 4072/4885
US-20160159774-A1 HETEROARYL COMPOUNDS AND USES THEREOF ABCG2, CYP3A43, CYP3A5 CYP1A2 20/4885ALDH1A1 684/4885TDP1 2415/4885
US-20110130383-A1 Use of Ion Channel Modulators in the Prophylaxis and Treatment of Inflammatory and Immunological Diseases HCAR2, HCAR1, SCN7A CYP1A2 361/4885ALDH1A1 2831/4885TDP1 4443/4885
US-20040176609-A1 Oxazolidinones having a benzannulated 6- or 7-membered heterocycle OXA1L, CDK16, MT-ND6 CYP1A2 1085/4885ALDH1A1 744/4885TDP1 4072/4885

“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.