SCHEMBL7044513

SCHEMBL7044513

O=C(O)c1cccc(OCc2ccc([N+](=O)[O-])cc2)c1

nearest known ligand 0.79

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.79
MAOA P21397 1/20 0.79
NR4A2 P43354 7/20 0.69
KDM4E B2RXH2 1/20 0.67
PLA2G4B P0C869 1/20 0.63
NR4A1 P22736 1/20 0.62
NR4A3 Q92570 1/20 0.62
MEN1 O00255 1/20 0.59
MAPT P10636 1/20 0.59
KMT2A Q03164 1/20 0.59
SRD5A2 P31213 1/20 0.58
RXRA P19793 1/20 0.56
RXRB P28702 1/20 0.56
RXRG P48443 1/20 0.56
CTSV O60911 1/20 0.56
CTSL P07711 1/20 0.56
TSHR P16473 1/20 0.56
SMN1; SMN2 Q16637 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
SCHEMBL11265703 0.88 MAOB (0.79) MAOBMAOANR4A2SMN1; SMN2
SCHEMBL7449293 0.88 MAOB (0.77) MAOBMAOANR4A2MEN1MAPT
SCHEMBL8153392 0.83 MAOB (0.69) MAOBMAOAMEN1MAPTKMT2A
SCHEMBL15282049 0.83 PLA2G4B (0.87) MAOBNR4A2PLA2G4BNR4A1NR4A3
SCHEMBL30994900 0.83 NR4A2 (0.82) MAOBNR4A2NR4A1NR4A3MEN1
SCHEMBL27815839 0.83 NR4A2 (0.82) MAOBNR4A2NR4A1NR4A3MEN1
SCHEMBL30207018 0.82 NR4A2 (1.00) MAOBNR4A2NR4A1NR4A3MEN1
SCHEMBL339009 0.82 NR4A2 (1.00) MAOBNR4A2NR4A1NR4A3MEN1
SCHEMBL1123155 0.81 NR4A2 (0.91) MAOBNR4A2NR4A1NR4A3MEN1
Hydrochloric Acid SCHEMBL4748074 0.81 NR4A2 (0.97) MAOBNR4A2NR4A1NR4A3MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030191323-A1 Hypoglycemic agent AJINOMOTO CO., INC. (JP) 2003-10-09 US disclosed
US-20030162818-A1 Acylsulfonamide derivative AJINOMOTO CO. INC. (JP) 2003-08-28 US disclosed
US-6555584-B1 Acetyl-coa carboxylase inhibitors AJINOMOTO CO., INC. (JP) 2003-04-29 US disclosed
EP-1300142-A1 HYPOGLYCEMICS Ajinomoto Co., Inc. (JP) 2003-04-09 EP 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 (2 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-20030162818-A1 Acylsulfonamide derivative ACSS2, ACACA, FASN MAOB 396/4885MAOA 591/4885NR4A2 2332/4885
US-20030191323-A1 Hypoglycemic agent GPR119, IAPP, SLC5A2 MAOB 2736/4885MAOA 2901/4885NR4A2 3157/4885

“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.