SCHEMBL706409

SCHEMBL706409

COC(=O)/C=C/c1ccc(OC)cc1[N+](=O)[O-]

nearest known ligand 0.66

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.56
MEN1 O00255 7/20 0.56
KMT2A Q03164 7/20 0.56
ALDH1A1 P00352 6/20 0.56
LMNA P02545 3/20 0.56
POLB P06746 2/20 0.56
ATM Q13315 1/20 0.56
BACE1 P56817 1/20 0.55
SMN1; SMN2 Q16637 4/20 0.54
NPC1 O15118 3/20 0.54
RAB9A P51151 3/20 0.54
MAPK1 P28482 2/20 0.53
PTGS2 P35354 1/20 0.49
CYP2C19 P33261 1/20 0.48
AKR1C3 P42330 2/20 0.47
AKR1C2 P52895 2/20 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
SCHEMBL4057082 1.00 MAPT (0.56) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL6172741 0.89 BACE1 (0.68) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL6172745 0.89 BACE1 (0.68) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL708120 0.87 ALDH1A1 (0.61) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL3578531 0.87 ALDH1A1 (0.61) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL708119 0.87 ALDH1A1 (0.61) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL29493914 0.87 MAPT (0.54) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL17980698 0.87 MAPT (0.54) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL15221602 0.87 MAPT (0.54) MAPTMEN1KMT2AALDH1A1LMNA
Hydrochloric Acid SCHEMBL15652345 0.86 ALDH1A1 (0.60) MAPTMEN1KMT2AALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2118076-B1 QUINOXALINE COMPOUNDS AND USE THEREOF MERCK SERONO SA (CH) 2019-09-04 EP disclosed
US-8124602-B2 Compounds for the treatment of multi-drug resistant bacterial infections ASTRAZENECA AB (SE) 2012-02-28 US disclosed
US-20110092495-A1 COMPOUNDS FOR THE TREATMENT OF MULTI-DRUG RESISTANT BACTERIAL INFECTIONS ASTRAZENECA AB (SE) 2011-04-21 US disclosed
EP-2289890-A1 Compounds for the treatment of multi-drug resistant bacterial infections AstraZeneca AB (SE) 2011-03-02 EP disclosed
US-7875715-B2 6-[({1-[2-(7-methoxy-2-oxoquinoxalin-1(2H)-yl)ethyl]piperidin-4-yl}amino)methyl]-2H-pyrido[3,2-b][1,4]oxazin-3(4H)-one; antibacteria; methicillin-resistant Staphylococcus aureus (MRSA), methicillin-resistant coagulase-negative staphylococci (MRCNS), penicillin-resistant Streptococcus pneumoniae ASTRAZENECA AB (SE) 2011-01-25 US disclosed
US-20100137308-A1 Quinoxaline Compounds and Use Thereof MERCK SERONO SA (CH) 2010-06-03 US disclosed
US-20100137308-A1 Quinoxaline Compounds and Use Thereof MERCK SERONO SA (CH) 2010-06-03 US disclosed
WO-2009106534-A1 NOVEL HETEROCYCLIC CARBOXAMIDES AS M1 AGONISTS H. LUNDBECK A/S (DK) 2009-09-03 WO disclosed
WO-2009106534-A1 NOVEL HETEROCYCLIC CARBOXAMIDES AS M1 AGONISTS H. LUNDBECK A/S (DK) 2009-09-03 WO disclosed
US-7528160-B2 Fused heterocyclic derivatives as PPAR modulators ELI LILLY AND COMPANY (US) 2009-05-05 US disclosed
US-7528160-B2 Fused heterocyclic derivatives as PPAR modulators ELI LILLY AND COMPANY (US) 2009-05-05 US disclosed
US-7528160-B2 Fused heterocyclic derivatives as PPAR modulators ELI LILLY AND COMPANY (US) 2009-05-05 US disclosed
WO-2008101979-A1 QUINOXALINE COMPOUNDS AND USE THEREOF MERCK SERONO S.A. (CH) 2008-08-28 WO disclosed
US-20060217374-A1 Fused heterocyclic derivates as ppar modulators ELI LILLY AND COMPANY 2006-09-28 US disclosed
EP-1045833-B1 2,3-SUBSTITUTED INDOLE COMPOUNDS AS COX-2 INHIBITORS PFIZER (US) 2005-11-02 EP disclosed
EP-1581521-A1 FUSED HETEROCYCLIC DERIVATIVES AS PPAR MODULATORS ELI LILLY AND COMPANY (US) 2005-10-05 EP disclosed
WO-2004063190-A1 FUSED HETEROCYCLIC DERIVATES AS PPAR MODULATORS ELI LILLY AND COMPANY (US) 2004-07-29 WO disclosed
US-6608070-B1 Useful for treatment of medical condition in which prostaglandins are implicated as pathogens NAKAO KAZUNARI (JP) 2003-08-19 US 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-20100137308-A1 Quinoxaline Compounds and Use Thereof PFKP, PDXK, PF4 MAPT 3821/4885MEN1 927/4885KMT2A 3444/4885
US-20110092495-A1 COMPOUNDS FOR THE TREATMENT OF MULTI-DRUG RESISTANT BACTERIAL INFECTIONS PIGS, BPGM, IPMK MAPT 2405/4885MEN1 2771/4885KMT2A 3561/4885
US-20060217374-A1 Fused heterocyclic derivates as ppar modulators PPARG, PPARA, PPARD MAPT 3515/4885MEN1 4660/4885KMT2A 2858/4885

“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.