SCHEMBL6986690

SCHEMBL6986690

CCOC(=O)C=Cc1cccc([N+](=O)[O-])c1C

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 1/20 0.60
LMNA P02545 1/20 0.57
ALDH1A1 P00352 5/20 0.55
RAB9A P51151 1/20 0.55
KMT2A Q03164 3/20 0.52
MEN1 O00255 2/20 0.52
HPGD P15428 2/20 0.52
GAA P10253 1/20 0.52
EGFR P00533 1/20 0.50
ERBB2 P04626 1/20 0.50
NPC1 O15118 1/20 0.50
HSP90AA1 P07900 1/20 0.50
PKM P14618 1/20 0.50
CCR6 P51684 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
APOBEC3G Q9HC16 1/20 0.50
MAPT P10636 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
TDP1 Q9NUW8 1/20 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
SCHEMBL1177984 1.00 STAT3 (0.60) STAT3LMNAALDH1A1RAB9AKMT2A
SCHEMBL4688056 0.89 STAT3 (0.74) STAT3LMNAALDH1A1RAB9AKMT2A
SCHEMBL12226830 0.89 STAT3 (0.74) STAT3LMNAALDH1A1RAB9AKMT2A
SCHEMBL4688054 0.89 STAT3 (0.74) STAT3LMNAALDH1A1RAB9AKMT2A
SCHEMBL1932513 0.86 MEN1 (0.55) STAT3LMNAALDH1A1RAB9AKMT2A
SCHEMBL10648924 0.85 STAT3 (0.54) STAT3LMNAALDH1A1RAB9AKMT2A
SCHEMBL10648917 0.85 STAT3 (0.54) STAT3LMNAALDH1A1RAB9AKMT2A
SCHEMBL1178431 0.84 MEN1 (0.52) STAT3LMNAALDH1A1RAB9AKMT2A
SCHEMBL1932632 0.84 MEN1 (0.52) STAT3LMNAALDH1A1RAB9AKMT2A
SCHEMBL15709280 0.81 MAPT (0.71) LMNAALDH1A1RAB9AKMT2AMEN1

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-20030078251-A1 Benzoxazepinones and their use as squalene synthase inhibitors TAKEDA CHEMICAL INDUSTRIES LTD. (JP) 2003-04-24 US disclosed
EP-1292585-A1 BENZOXAZEPINONES AND THEIR USE AS SQUALENE SYNTHASE INHIBITORS Takeda Chemical Industries, Ltd. (JP) 2003-03-19 EP disclosed
WO-2001098282-A1 BENZOXAZEPINONES AND THEIR USE AS SQUALENE SYNTHASE INHIBITORS TAKEDA CHEMICAL INDUSTRIES, LTD (JP) 2001-12-27 WO disclosed
US-4335054-A Process for the preparation of alkenylbenzenecarboxylic acid derivatives and alkenylnaphthalenecarboxylic acid derivatives CIBA-GEIGY CORPORATION (US) 1982-06-15 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 STAT3 3815/4885LMNA 2609/4885ALDH1A1 1026/4885

“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.