SCHEMBL6785545

SCHEMBL6785545

O=C(O)C=Cc1cccc([N+](=O)[O-])c1O

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.73
ERN1 O75460 1/20 0.63
GPR35 Q9HC97 1/20 0.56
MAOB P27338 1/20 0.55
KMT2A Q03164 7/20 0.52
MEN1 O00255 6/20 0.52
SMN1; SMN2 Q16637 3/20 0.51
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
NFKB1 P19838 2/20 0.51
KDM4E B2RXH2 2/20 0.51
NFKB2 Q00653 1/20 0.51
RELA Q04206 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA4 P22748 1/20 0.50
HTT P42858 1/20 0.49
BACE1 P56817 1/20 0.49
THRB P10828 1/20 0.48

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
SCHEMBL5595086 1.00 MAPT (0.73) MAPTERN1GPR35MAOBKMT2A
SCHEMBL5595081 1.00 MAPT (0.73) MAPTERN1GPR35MAOBKMT2A
O-Coumaric Acid SCHEMBL6824128 0.93 MAPT (0.68) MAPTERN1GPR35MAOBKMT2A
O-Coumaric Acid SCHEMBL6824137 0.93 MAPT (0.68) MAPTERN1GPR35MAOBKMT2A
SCHEMBL6823892 0.89 MAPT (0.59) MAPTERN1GPR35MAOBKMT2A
SCHEMBL5594855 0.86 ERN1 (0.61) MAPTERN1GPR35MAOBKMT2A
SCHEMBL27516968 0.86 ERN1 (0.61) MAPTERN1GPR35MAOBKMT2A
SCHEMBL10673342 0.85 MAPT (1.00) MAPTMAOBKMT2AMEN1SMN1; SMN2
SCHEMBL42323 0.85 MAPT (1.00) MAPTMAOBKMT2AMEN1SMN1; SMN2
SCHEMBL820084 0.85 MAPT (1.00) MAPTMAOBKMT2AMEN1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6737431-B2 SUCH AS N-(3-(2-METHYLBENZOXAZOL-7-YL)PROPYL)PROPANAMIDE; CIRCADIAN RHYTHM RELATED DISORDERS BRISTOL-MYERS SQUIBB COMPANY 2004-05-18 US disclosed
US-20030216456-A1 Benzoxazole derivatives as novel melatonergic agents BRISTOL-MYERS SQUIBB COMPANY 2003-11-20 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-20030216456-A1 Benzoxazole derivatives as novel melatonergic agents MTNR1A, MTNR1B, MC1R MAPT 3401/4885ERN1 4077/4885GPR35 53/4885

“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.