SCHEMBL1749792

SCHEMBL1749792

CCCCOc1ccc(C(=O)O)cc1[N+](=O)[O-]

nearest known ligand 0.92

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PLA2G4B P0C869 1/20 0.74
THRA P10827 1/20 0.65
THRB P10828 1/20 0.65
PRSS1 P07477 4/20 0.63
HCAR3 P49019 4/20 0.59
PLA2G2A P14555 1/20 0.56
XDH P47989 1/20 0.55
ALDH1A1 P00352 1/20 0.55
MAPT P10636 1/20 0.55
AKR1C3 P42330 1/20 0.55
AKR1C2 P52895 1/20 0.55
AKR1C1 Q04828 1/20 0.55

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
SCHEMBL27403163 0.97 PLA2G4B (0.74) PLA2G4BTHRATHRBPRSS1HCAR3
SCHEMBL9626808 0.96 PLA2G4B (0.77) PLA2G4BTHRATHRBPRSS1HCAR3
SCHEMBL7696499 0.96 PLA2G4B (0.77) PLA2G4BTHRATHRBPRSS1HCAR3
SCHEMBL12431954 0.96 PLA2G4B (0.77) PLA2G4BTHRATHRBPRSS1HCAR3
Hydrochloric Acid SCHEMBL9627735 0.95 PLA2G4B (0.75) PLA2G4BTHRATHRBPRSS1HCAR3
SCHEMBL177201 0.93 PLA2G4B (0.65) PLA2G4BTHRATHRBPRSS1HCAR3
SCHEMBL6208104 0.93 PLA2G4B (0.66) PLA2G4BTHRATHRBPRSS1HCAR3
SCHEMBL223553 0.89 AKR1C3 (0.67) PLA2G4BTHRATHRBPRSS1HCAR3
SCHEMBL2056251 0.89 THRA (0.62) PLA2G4BTHRATHRBPRSS1XDH
SCHEMBL28748773 0.88 THRA (0.61) PLA2G4BTHRATHRBPRSS1XDH

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
JP-11147859-A None JP disclosed
CN-110183348-B N- (3-nitro-4-alkoxy benzoyl) amino acid compound, preparation method and application thereof 中国医科大学 2022-06-03 CN disclosed
CN-110183348-A N- (3- nitro -4- alkoxybenzoyl) amino acids, preparation method and its usage 中国医科大学 2019-08-30 CN disclosed
US-9688637-B2 3-amidobenzamides and uses thereof for increasing cellular levels of A3G and other A3 family members NORTHWESTERN UNIVERSTIY (US) 2017-06-27 US disclosed
US-9688637-B2 3-amidobenzamides and uses thereof for increasing cellular levels of A3G and other A3 family members NORTHWESTERN UNIVERSTIY (US) 2017-06-27 US disclosed
US-9688637-B2 3-amidobenzamides and uses thereof for increasing cellular levels of A3G and other A3 family members NORTHWESTERN UNIVERSTIY (US) 2017-06-27 US disclosed
US-20160052870-A1 3-AMIDOBENZAMIDES AND USES THEREOF FOR INCREASING CELLULAR LEVELS OF A3G AND OTHER A3 FAMILY MEMBERS NORTHWESTERN UNIVERSITY (US) 2016-02-25 US disclosed
WO-2016029136-A1 3-AMIDOBENZAMIDES AND USES THEREOF FOR INCREASING CELLULAR LEVELS OF A3G NORTHWESTERN UNIVERSITY (US) 2016-02-25 WO disclosed
WO-2012053768-A2 ARYLOXYPHENOXYACETYL-BASED COMPOUND HAVING HIF-1 INHIBITION ACTIVITY, PREPARATION METHOD THEREOF AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME AS AN ACTIVE INGREDIENT KOREA RESEARCH INSTITUTE OF BIOSCIENCE AND BIOTECHNOLOGY (KR) 2012-04-26 WO disclosed
US-7968550-B2 Substituted N-aryl heterocycles, process for their preparation and their use as medicaments AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2011-06-28 US disclosed
CN-100506792-C Substituted N-aryl heterocycles, method for the production thereof and their use as medicaments AVENTIS PHARMA GMBH (DE) 2009-07-01 CN disclosed
US-20070207991-A1 Substituted N-aryl Heterocycles, Process For Their Preparation and Their Use As Medicaments SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-09-06 US disclosed
US-7223788-B2 therapy for eating disorders, anorexigenic agents, antidiabetic agents, reducing weight in mammals, circadian rhythm disease, psychological disorders SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-05-29 US disclosed
US-20070043235-A1 Process for preparing 3-nitro-4-alkoxybenzoic acid KABUSHIKI KAISHA UENO SEIYAKU OYO KENKYUJO (JP) 2007-02-22 US disclosed
CN-1809525-A Process for producing 3-nitro-4-alkoxybenzoic acid UENO SEIYAKU OYO KENKYUJO KK (JP) 2006-07-26 CN disclosed
CN-1774418-A Substituted N-arylheterocycles, method for production and use thereof as medicaments AVENTIS PHARMA GMBH (DE) 2006-05-17 CN disclosed
EP-1621528-A1 PROCESS FOR PRODUCING 3-NITRO-4-ALKOXYBENZOIC ACID KABUSHIKI KAISHA UENO SEIYAKU OYO KENKYUJO (JP) 2006-02-01 EP disclosed
US-20040220191-A1 Substituted N-aryl heterocycles, process for their preparation and their use as medicaments AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-11-04 US disclosed
JP-H11147859-A PRODUCTION OF ALKOXYNITROBENZOIC ACID AND ALKOXYNITROTOLUENE FUSO CHEMICAL CO LTD 1999-06-02 JP 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-20160052870-A1 3-AMIDOBENZAMIDES AND USES THEREOF FOR INCREASING CELLULAR LEVELS OF A3G AND OTHER A3 FAMILY MEMBERS L3MBTL3, AFG3L2, AMPD3 PLA2G4B 286/4885THRA 2074/4885THRB 2677/4885
US-20040220191-A1 Substituted N-aryl heterocycles, process for their preparation and their use as medicaments CYP11B2, CYP11B1, CYP1A1 PLA2G4B 3585/4885THRA 4014/4885THRB 4348/4885
US-20070207991-A1 Substituted N-aryl Heterocycles, Process For Their Preparation and Their Use As Medicaments CYP11B2, CYP11B1, NQO1 PLA2G4B 3604/4885THRA 3985/4885THRB 4200/4885
US-20070043235-A1 Process for preparing 3-nitro-4-alkoxybenzoic acid NOS3, NOS1, NOS2 PLA2G4B 2155/4885THRA 2508/4885THRB 2524/4885

“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.