SCHEMBL6985823

SCHEMBL6985823

CCOC(=O)/C=C/c1ccc(F)c([N+](=O)[O-])c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 1/20 0.56
DPP4 P27487 1/20 0.56
CYP3A4 P08684 1/20 0.53
CA12 O43570 1/20 0.52
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
CA7 P43166 1/20 0.52
CA9 Q16790 1/20 0.52
CA14 Q9ULX7 1/20 0.52
MAOB P27338 1/20 0.51
FDPS P14324 1/20 0.49
RAB9A P51151 2/20 0.47
PKM P14618 3/20 0.46
NPC1 O15118 2/20 0.46
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
HSP90AA1 P07900 1/20 0.46
HPGD P15428 1/20 0.46
CCR6 P51684 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46

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
SCHEMBL6985825 1.00 TTR (0.56) TTRDPP4CYP3A4CA12CA1
SCHEMBL30972214 1.00 TTR (0.56) TTRDPP4CYP3A4CA12CA1
SCHEMBL6984694 0.91 TTR (0.46) TTRDPP4CYP3A4CA12CA1
SCHEMBL12190668 0.90 TTR (0.56) TTRDPP4CYP3A4CA12CA1
SCHEMBL6986144 0.87 TTR (0.58) TTRDPP4CYP3A4CA12CA1
SCHEMBL6986141 0.87 TTR (0.58) TTRDPP4CYP3A4CA12CA1
SCHEMBL11214203 0.86 TTR (0.68) TTRDPP4CYP3A4CA12CA1
SCHEMBL11214208 0.86 TTR (0.68) TTRDPP4CYP3A4CA12CA1
SCHEMBL29840689 0.85 TTR (0.52) TTRCA12CA1CA2CA7
SCHEMBL2842776 0.85 TTR (0.52) TTRCA12CA1CA2CA7

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 TTR 4715/4885DPP4 1360/4885CYP3A4 538/4885

“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.