SCHEMBL7255773

SCHEMBL7255773

O=C(O)C=Cc1cc2cc([N+](=O)[O-])ccc2o1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.56
MAOA P21397 3/20 0.56
KMT2A Q03164 6/20 0.51
POLB P06746 4/20 0.51
TDP1 Q9NUW8 2/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
CA12 O43570 2/20 0.51
CA9 Q16790 2/20 0.51
F12 P00748 1/20 0.47
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
MEN1 O00255 5/20 0.44
RAB9A P51151 3/20 0.44
NPC1 O15118 2/20 0.44
LMNA P02545 2/20 0.44
MAPT P10636 2/20 0.44
ALDH1A1 P00352 2/20 0.44
RHOA P61586 2/20 0.44
KDM4E B2RXH2 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL6984015 1.00 MAOB (0.56) MAOBMAOAKMT2APOLBTDP1
SCHEMBL7799528 1.00 MAOB (0.56) MAOBMAOAKMT2APOLBTDP1
SCHEMBL6980448 0.79 CYP2A6 (0.56) MAOBMAOAKMT2APOLBTDP1
SCHEMBL22542935 0.76 KMT2A (0.49) MAOBMAOAKMT2APOLBTDP1
SCHEMBL654558 0.75 MAOA (0.67) MAOBMAOAKMT2APOLBTDP1
SCHEMBL30100149 0.75 MAOA (0.67) MAOBMAOAKMT2APOLBTDP1
SCHEMBL3906474 0.74 GAA (0.57) MAOBKMT2ATDP1CA12CA9
SCHEMBL3906481 0.74 GAA (0.57) MAOBKMT2ATDP1CA12CA9
SCHEMBL1226012 0.74 MAPT (0.64) MAOBKMT2ATDP1CA12CA9
SCHEMBL29871432 0.74 MAPT (0.64) MAOBKMT2ATDP1CA12CA9

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-20030078251-A1 Benzoxazepinones and their use as squalene synthase inhibitors TAKEDA CHEMICAL INDUSTRIES LTD. (JP) 2003-04-24 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-20030078251-A1 Benzoxazepinones and their use as squalene synthase inhibitors SQLE, CYP17A1, ACOX1 MAOB 2164/4885MAOA 1981/4885KMT2A 2350/4885

“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.