SCHEMBL6786002

SCHEMBL6786002

N#C/C=C/c1cccc([N+](=O)[O-])c1O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 1/20 0.61
GPR35 Q9HC97 2/20 0.55
L3MBTL1 Q9Y468 2/20 0.50
MAPT P10636 6/20 0.48
KMT2A Q03164 6/20 0.48
HTT P42858 2/20 0.48
MEN1 O00255 5/20 0.47
HPGD P15428 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
THRB P10828 1/20 0.47
MAPK1 P28482 1/20 0.47
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 2/20 0.46
CYP2C9 P11712 2/20 0.46
APAF1 O14727 1/20 0.46
ATM Q13315 1/20 0.46
SAE1 Q9UBE0 1/20 0.46
UBA2 Q9UBT2 1/20 0.46
TP53 P04637 2/20 0.41
LMNA P02545 1/20 0.41

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
SCHEMBL6786004 1.00 ERN1 (0.61) ERN1GPR35L3MBTL1MAPTKMT2A
SCHEMBL1343573 0.83 MAPT (0.56) MAPTKMT2AMEN1HPGDSMN1; SMN2
SCHEMBL1343574 0.83 MAPT (0.56) MAPTKMT2AMEN1HPGDSMN1; SMN2
SCHEMBL27780521 0.83 MAPT (0.56) MAPTKMT2AMEN1HPGDSMN1; SMN2
SCHEMBL11275396 0.81 TDP1 (0.55) ERN1GPR35L3MBTL1MAPTKMT2A
SCHEMBL11275399 0.81 TDP1 (0.55) ERN1GPR35L3MBTL1MAPTKMT2A
SCHEMBL27688496 0.79 ERN1 (0.67) ERN1GPR35L3MBTL1MAPTKMT2A
SCHEMBL11756854 0.79 ERN1 (0.67) ERN1GPR35L3MBTL1MAPTKMT2A
SCHEMBL11756860 0.79 ERN1 (0.67) ERN1GPR35L3MBTL1MAPTKMT2A
SCHEMBL28412847 0.78 SOS1 (0.48) ERN1L3MBTL1MAPTKMT2AHTT

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 ERN1 4077/4885GPR35 53/4885L3MBTL1 3653/4885

“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.