SCHEMBL6986048

SCHEMBL6986048

CCOC(=O)C=Cc1cc(OC)c(OC)c([N+](=O)[O-])c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.56
TUBB4A P04350 1/20 0.54
TUBB P07437 1/20 0.54
TUBA3C P0DPH7 1/20 0.54
TUBA1B P68363 1/20 0.54
TUBA4A P68366 1/20 0.54
TUBB4B P68371 1/20 0.54
TUBB3 Q13509 1/20 0.54
TUBB2A Q13885 1/20 0.54
TUBB8 Q3ZCM7 1/20 0.54
TUBA3E Q6PEY2 1/20 0.54
TUBA1A Q71U36 1/20 0.54
TUBA1C Q9BQE3 1/20 0.54
TUBB6 Q9BUF5 1/20 0.54
TUBB2B Q9BVA1 1/20 0.54
TUBB1 Q9H4B7 1/20 0.54
FDPS P14324 1/20 0.54
DBH P09172 1/20 0.54
KRAS P01116 1/20 0.52
ALOX5 P09917 1/20 0.51

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
SCHEMBL3492139 1.00 MAOB (0.56) MAOBTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL17518832 0.91 MAOB (0.50) MAOBTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL11212526 0.89 JUN (0.64) MAOBFDPSDBHALOX5MET
SCHEMBL11212525 0.89 JUN (0.64) MAOBFDPSDBHALOX5MET
SCHEMBL8772845 0.87 MAOB (0.68) MAOBFDPSALOX5METKDM4E
SCHEMBL8772838 0.87 MAOB (0.68) MAOBFDPSALOX5METKDM4E
SCHEMBL6980423 0.85 FDPS (0.64) MAOBTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL19961012 0.85 MAOB (0.67) MAOBFDPSKDM4EMCL1ALDH1A1
SCHEMBL6987445 0.85 MAOB (0.67) MAOBFDPSKDM4EMCL1ALDH1A1
SCHEMBL6987448 0.85 MAOB (0.67) MAOBFDPSKDM4EMCL1ALDH1A1

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 3 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

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 2164/4885TUBB4A 4461/4885TUBB 4728/4885

“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.