SCHEMBL6983747

SCHEMBL6983747

COc1ccc(OCC(=O)c2ccccc2)c([N+](=O)[O-])c1

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.67
KMT2A Q03164 5/20 0.67
MEN1 O00255 4/20 0.67
MAPT P10636 6/20 0.56
RAB9A P51151 5/20 0.56
NPC1 O15118 4/20 0.56
SMN1; SMN2 Q16637 4/20 0.56
MAPK1 P28482 3/20 0.56
HTT P42858 2/20 0.53
HPGD P15428 1/20 0.53
LMNA P02545 2/20 0.52
TDP1 Q9NUW8 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
AKR1C3 P42330 2/20 0.51
AKR1C2 P52895 2/20 0.51
AKR1B10 O60218 1/20 0.49
AKR1B1 P15121 1/20 0.49
AKR1C4 P17516 1/20 0.49
AKR1C1 Q04828 1/20 0.49

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
SCHEMBL2698893 0.85 MEN1 (0.61) ALDH1A1KMT2AMEN1MAPTRAB9A
SCHEMBL31357487 0.85 ALDH1A1 (0.75) ALDH1A1KMT2AMEN1MAPTRAB9A
SCHEMBL6327826 0.82 ALDH1A1 (0.71) ALDH1A1KMT2AMEN1MAPTRAB9A
SCHEMBL8569607 0.82 RAB9A (0.56) ALDH1A1KMT2AMEN1MAPTRAB9A
SCHEMBL5447871 0.81 ALDH1A1 (1.00) ALDH1A1KMT2AMEN1MAPTRAB9A
SCHEMBL9314457 0.79 RAB9A (0.58) ALDH1A1KMT2AMEN1MAPTRAB9A
SCHEMBL5345734 0.79 KMT2A (0.49) ALDH1A1KMT2AMEN1MAPTRAB9A
SCHEMBL182622 0.79 RAB9A (0.56) ALDH1A1KMT2AMEN1MAPTRAB9A
SCHEMBL11657543 0.78 KMT2A (0.60) ALDH1A1KMT2AMEN1MAPTRAB9A
SCHEMBL19423665 0.77 ALDH1A1 (0.53) ALDH1A1KMT2AMEN1MAPTRAB9A

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-6620809-B2 Useful in treating or in preventing melatoninergic disorders LES LABORATOIRES SERVIER (FR) 2003-09-16 US disclosed
EP-1106608-B1 Substituted (dihydro)benzoxazine and (dihydro)benzothiazine derivatives, process for their preparation and pharmaceutical compositions containing them SERVIER LAB (FR) 2003-03-05 EP disclosed
US-20010003747-A1 New substituted (dihydro)benzoxazine and (dihydro)benzothiazine compounds LES LABORATOIRES SERVIER (FR) 2001-06-14 US disclosed
EP-1106608-A1 Substituted (dihydro)benzoxazine and (dihydro)benzothiazine derivatives, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 2001-06-13 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 (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 79/4885KMT2A 800/4885MEN1 1534/4885

“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.