SCHEMBL7213151

SCHEMBL7213151

COC(=O)Nc1ccc(O)c([N+](=O)[O-])c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.56
EGFR P00533 1/20 0.49
HTT P42858 3/20 0.49
ALDH5A1 P51649 1/20 0.49
ABAT P80404 1/20 0.49
SMN1; SMN2 Q16637 4/20 0.49
MAPK1 P28482 3/20 0.49
HPGD P15428 2/20 0.49
TP53 P04637 1/20 0.49
TSHR P16473 1/20 0.49
GPR35 Q9HC97 1/20 0.49
MEN1 O00255 5/20 0.48
KMT2A Q03164 5/20 0.48
MAPT P10636 4/20 0.48
P2RX1 P51575 1/20 0.48
ALOX15 P16050 1/20 0.47
HSD17B10 Q99714 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47

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
SCHEMBL7448057 0.85 ALDH1A1 (0.48) ALDH1A1EGFRHTTALDH5A1ABAT
SCHEMBL10889357 0.84 KMT2A (0.65) ALDH1A1SMN1; SMN2MAPK1HPGDMEN1
SCHEMBL3801985 0.84 HTT (0.68) ALDH1A1EGFRHTTALDH5A1ABAT
SCHEMBL614967 0.83 ALDH1A1 (0.54) ALDH1A1HTTSMN1; SMN2MAPK1HPGD
SCHEMBL5881545 0.83 LMNA (0.63) ALDH1A1HTTSMN1; SMN2MAPK1MEN1
SCHEMBL30480689 0.83 ALDH1A1 (0.54) ALDH1A1HTTSMN1; SMN2MAPK1HPGD
SCHEMBL18822434 0.83 ALDH1A1 (0.54) ALDH1A1HTTSMN1; SMN2MAPK1HPGD
SCHEMBL29780113 0.83 LMNA (0.63) ALDH1A1HTTSMN1; SMN2MAPK1MEN1
SCHEMBL29780105 0.83 ALDH1A1 (0.54) ALDH1A1HTTSMN1; SMN2MAPK1HPGD
SCHEMBL6975312 0.82 MAPT (0.54) ALDH1A1EGFRHTTALDH5A1ABAT

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-6620809-B2 Useful in treating or in preventing melatoninergic disorders LES LABORATOIRES SERVIER (FR) 2003-09-16 US disclosed
US-20010003747-A1 New substituted (dihydro)benzoxazine and (dihydro)benzothiazine compounds LES LABORATOIRES SERVIER (FR) 2001-06-14 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-20010003747-A1 New substituted (dihydro)benzoxazine and (dihydro)benzothiazine compounds MTNR1A, MTNR1B, SQOR ALDH1A1 79/4885EGFR 4752/4885HTT 1745/4885

“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.