SCHEMBL1402203

SCHEMBL1402203

CCOc1ccc(C(=O)O)cc1[N+](=O)[O-]

nearest known ligand 0.75

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.65
GAA P10253 1/20 0.63
PLA2G4B P0C869 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.60
POLB P06746 2/20 0.59
TSHR P16473 2/20 0.59
CASP6 P55212 1/20 0.58
ALDH1A1 P00352 3/20 0.58
HCAR3 P49019 2/20 0.57
LMNA P02545 2/20 0.56
PRSS1 P07477 1/20 0.56
ALOX12 P18054 1/20 0.56
CTDSP1 Q9GZU7 1/20 0.56
MEN1 O00255 1/20 0.55
KMT2A Q03164 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
Hydrochloric Acid SCHEMBL11776063 0.98 MAPT (0.64) MAPTGAAPLA2G4BSMN1; SMN2POLB
SCHEMBL177201 0.88 PLA2G4B (0.65) MAPTPLA2G4BTSHRCASP6HCAR3
SCHEMBL2339687 0.88 POLB (0.73) MAPTGAASMN1; SMN2POLBALDH1A1
SCHEMBL3537490 0.88 MAPT (0.62) MAPTGAAPOLBTSHRCASP6
SCHEMBL27403163 0.87 PLA2G4B (0.74) MAPTPLA2G4BALDH1A1HCAR3LMNA
SCHEMBL1749792 0.87 PLA2G4B (0.74) MAPTPLA2G4BALDH1A1HCAR3PRSS1
Hydrochloric Acid SCHEMBL3729179 0.87 MAPT (0.60) MAPTGAAPOLBTSHRCASP6
SCHEMBL29682151 0.87 GAA (0.62) MAPTGAASMN1; SMN2POLBALDH1A1
SCHEMBL11691516 0.87 GAA (0.62) MAPTGAASMN1; SMN2POLBALDH1A1
SCHEMBL6113984 0.87 GAA (0.62) MAPTGAASMN1; SMN2POLBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-3782991-A1 NOVEL MODULATORS OF SPHINGOSINE PHOSPHATE RECEPTORS The Scripps Research Institute (US) 2021-02-24 EP disclosed
US-10544136-B2 Modulators of sphingosine phosphate receptors THE SCRIPPS RESEARCH INSTITUTE (US) 2020-01-28 US 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-20190084947-A1 NOVEL MODULATORS OF SPHINGOSINE PHOSPHATE RECEPTORS THE SCRIPPS RESEARCH INSTITUTE 2019-03-21 US disclosed
US-9975863-B2 Modulators of sphingosine phosphate receptors THE SCRIPPS RESEARCH INSTITUTE (US) 2018-05-22 US disclosed
CN-108017543-A A kind of preparation method of 3- nitros -4- propoxy benzoic acids 山东诚汇双达药业有限公司 2018-05-11 CN disclosed
US-20180009770-A1 NOVEL MODULATORS OF SPHINGOSINE PHOSPHATE RECEPTORS THE SCRIPPS RESEARCH INSTITUTE 2018-01-11 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
EP-0187231-A2 Amino phenyl benzothiazoles BAYER AG (DE) 1986-07-16 EP disclosed
EP-0090777-A1 Disazo pigments, methods for their preparation and their use CIBA-GEIGY AG (CH) 1983-10-05 EP disclosed
EP-0088726-A1 Monoazo pigments, methods for their preparation and their use CIBA-GEIGY AG (CH) 1983-09-14 EP disclosed
US-4382136-A EPOXIDE, LEWIS ACID BLOUNT DAVID H 1983-05-03 US disclosed
US-4380592-A Process for the production of polyhydroxy lignin-cellulose silicate polymer BLOUNT DAVID H (US) 1983-04-19 US disclosed
US-4377674-A POLYURETHANES; FOAMS; COPOLYMERS; INSULATION BLOUNT DAVID H 1983-03-22 US disclosed
EP-0001246-B1 PREPARATION OF 2-(3'- OR 4'-AMINOPHENYL)-5(OR 6)-AMINOBENZIMIDAZOLES CASSELLA Aktiengesellschaft (DE) 1981-02-25 EP disclosed
US-4192947-A REACTING DIAMINO NITROBENZENE WITH NITROBENZOYL CHLORIDE, CYCLIZING ANILIDE IN AQUEOUS ALKALI, REDUCING NITRO GROUPS WITH SULFIDE CASSELLA AKTIENGESELLSCHAFT (DE) 1980-03-11 US disclosed
EP-0001246-A1 Preparation of 2-(3'- or 4'-aminophenyl)-5(or 6)-aminobenzimidazoles CASSELLA Aktiengesellschaft (DE) 1979-04-04 EP disclosed
US-3975196-A Photoconductive charge transfer complex for electrophotography PITNEY-BOWES, INC. (US) 1976-08-17 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-10544136-B2 Modulators of sphingosine phosphate receptors S1PR1, S1PR3, S1PR2 MAPT 4693/4885GAA 2874/4885PLA2G4B 259/4885
US-20190084947-A1 NOVEL MODULATORS OF SPHINGOSINE PHOSPHATE RECEPTORS S1PR1, S1PR3, S1PR2 MAPT 4675/4885GAA 3215/4885PLA2G4B 267/4885
US-20180009770-A1 NOVEL MODULATORS OF SPHINGOSINE PHOSPHATE RECEPTORS S1PR1, S1PR3, S1PR2 MAPT 4538/4885GAA 3402/4885PLA2G4B 374/4885

“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.