SCHEMBL3726937

SCHEMBL3726937

NC(=O)C=Cc1cccc([N+](=O)[O-])c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.67
MAOB P27338 1/20 0.67
NFE2L2 Q16236 1/20 0.63
FBP1 P09467 1/20 0.61
VCP P55072 1/20 0.61
CYP19A1 P11511 1/20 0.61
HSP90AA1 P07900 3/20 0.60
MITF O75030 1/20 0.60
LMNA P02545 1/20 0.60
HTT P42858 1/20 0.60
ATM Q13315 1/20 0.60
ALDH1A1 P00352 3/20 0.58
ITGB2 P05107 1/20 0.58
ICAM1 P05362 1/20 0.58
ITGAL P20701 1/20 0.58
TGM2 P21980 1/20 0.58
GAA P10253 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
TRPV1 Q8NER1 3/20 0.56
MEN1 O00255 1/20 0.56

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
SCHEMBL3726935 1.00 MAPT (0.67) MAPTMAOBNFE2L2FBP1VCP
SCHEMBL27746159 0.89 MAPT (0.58) MAPTMAOBNFE2L2FBP1VCP
SCHEMBL2744313 0.87 MAPT (0.70) MAPTMAOBNFE2L2FBP1VCP
SCHEMBL2744320 0.87 MAPT (0.70) MAPTMAOBNFE2L2FBP1VCP
SCHEMBL5779060 0.86 NFE2L2 (0.61) MAPTMAOBNFE2L2FBP1VCP
SCHEMBL5779048 0.86 NFE2L2 (0.61) MAPTMAOBNFE2L2FBP1VCP
3-Nitro-Cinnamic Acid SCHEMBL4179178 0.85 MAPT (0.73) MAPTMAOBNFE2L2FBP1VCP
3-Nitro-Cinnamic Acid SCHEMBL29626695 0.85 MAPT (0.73) MAPTMAOBNFE2L2FBP1VCP
3-Nitro-Cinnamic Acid SCHEMBL3290556 0.85 MAPT (0.73) MAPTMAOBNFE2L2FBP1VCP
3-Nitro-Cinnamic Acid SCHEMBL448381 0.85 MAPT (0.73) MAPTMAOBNFE2L2FBP1VCP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1863483-A1 BICYCLIC PYRAZOLE COMPOUNDS AS ANTIBACTERIAL AGENTS Janssen Pharmaceutica, N.V. (BE) 2007-12-12 EP claimed
WO-2006105289-A1 BICYCLIC PYRAZOLE COMPOUNDS AS ANTIBACTERIAL AGENTS JANSSEN PHARMACEUTICA N.V. (BE) 2006-10-05 WO claimed
CN-109836383-B Method for preparing 3, 4-dihydroquinoline-2 (1H) -ketone compound 安徽理工大学 2022-04-19 CN disclosed
US-8242275-B2 Bicyclic pyrazole compounds as antibacterial agents JANSSEN PHARMACEUTICA NV (BE) 2012-08-14 US disclosed
US-8232391-B2 Bicyclic pyrazole compounds as antibacterial agents JANSSEN PHARMACEUTICA NV (BE) 2012-07-31 US disclosed
US-20100280240-A1 BICYCLIC PYRAZOLE COMPOUNDS AS ANTIBACTERIAL AGENTS ALLISON BRETT D 2010-11-04 US disclosed
EP-1863483-A1 BICYCLIC PYRAZOLE COMPOUNDS AS ANTIBACTERIAL AGENTS Janssen Pharmaceutica, N.V. (BE) 2007-12-12 EP disclosed
WO-2006105289-A1 BICYCLIC PYRAZOLE COMPOUNDS AS ANTIBACTERIAL AGENTS JANSSEN PHARMACEUTICA N.V. (BE) 2006-10-05 WO disclosed
US-RE36625-E Linear and cyclic polymers or oligomers having a photoreactive ethene group ROLIC AG (CH) 2000-03-21 US disclosed
US-5539074-A LIQUID CRYSTAL POLYMERS ON SILICA FOR LIGHT SENSITIVE ELEMENTS HOFFMANN-LA ROCHE INC. (US) 1996-07-23 US disclosed
EP-0355353-B1 Cycloalkylthiazole derivatives HOFFMANN LA ROCHE (CH) 1994-03-16 EP disclosed
US-5001140-A Cycloalkylthiazoles HOFFMANN-LA ROCHE INC. (US) 1991-03-19 US disclosed
EP-0355353-A2 Cycloalkylthiazole derivatives F. HOFFMANN-LA ROCHE AG (CH) 1990-02-28 EP disclosed
US-4051177-A PROCESS FOR THE PREPARATION OF UNSATURATED AMINO COMPOUNDS BAYER AKTIENGESELLSCHAFT (DT) 1977-09-27 US disclosed
US-4002673-A GROUP VIII METAL SULFIDE AS HYDROGENATION CATALYST BAYER AKTIENGESELLSCHAFT (DT) 1977-01-11 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 (1 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-20100280240-A1 BICYCLIC PYRAZOLE COMPOUNDS AS ANTIBACTERIAL AGENTS NOD2, BAK1, CASP3 MAPT 4108/4885MAOB 2417/4885NFE2L2 2438/4885

“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.