SCHEMBL4531097

SCHEMBL4531097

COc1ccc2cc(C(=O)Nc3ccc(C4(N)CC4)cc3)c(=O)oc2c1[N+](=O)[O-]

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.47
TP53 P04637 2/20 0.47
MAOB P27338 5/20 0.46
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA4 P22748 1/20 0.46
CA5A P35218 1/20 0.46
CA7 P43166 1/20 0.46
CA5B Q9Y2D0 1/20 0.46
MAOA P21397 2/20 0.45
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
S1PR1 P21453 3/20 0.42
HSD17B10 Q99714 1/20 0.41
CNR2 P34972 2/20 0.41
RAB9A P51151 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
SCHEMBL3881921 0.89 TP53 (0.50) MAPTTP53MAOBCA12CA1
SCHEMBL3881665 0.87 MAOB (0.57) MAPTTP53MAOBCA12CA1
SCHEMBL3952459 0.86 TP53 (0.49) MAPTTP53MAOBCA12CA1
SCHEMBL3879731 0.85 CNR2 (0.49) MAPTTP53MAOBCA12CA1
SCHEMBL4525515 0.85 CNR2 (0.53) MAPTTP53MAOBCA12CA1
SCHEMBL4533138 0.84 S1PR1 (0.51) MAPTTP53MAOBCA12CA1
SCHEMBL4518185 0.84 TP53 (0.48) MAPTTP53MAOBCA12CA1
SCHEMBL3890679 0.84 CNR2 (0.54) MAPTTP53MAOBCA12CA1
SCHEMBL3880438 0.83 CNR2 (0.54) MAPTTP53MAOBCA12CA1
SCHEMBL3892415 0.83 S1PR1 (0.61) MAPTTP53MAOBCA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090318546-A1 Chromen-2-One Derivatives NOVARTIS AG (CH) 2009-12-24 US claimed

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-20090318546-A1 Chromen-2-One Derivatives CYP1A2, CYP4B1, CYP1B1 MAPT 3872/4885TP53 487/4885MAOB 1375/4885

“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.