SCHEMBL6985505

SCHEMBL6985505

CCOC(=O)c1cc2cc([N+](=O)[O-])cc(OC)c2o1

nearest known ligand 0.73

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.73
ALDH1A1 P00352 6/20 0.51
RAB9A P51151 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
NPC1 O15118 1/20 0.45
PIM1 P11309 1/20 0.43
PDE7A Q13946 1/20 0.43
PDE3A Q14432 1/20 0.43
GAA P10253 1/20 0.42
KMT2A Q03164 4/20 0.41
MEN1 O00255 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
TP53 P04637 1/20 0.41
HPGD P15428 1/20 0.41
LMNA P02545 2/20 0.41
HTT P42858 1/20 0.40

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
SCHEMBL6979379 0.86 MAPT (0.55) MAPTRAB9AL3MBTL1NPC1PDE7A
SCHEMBL6987618 0.85 MAPT (0.54) MAPTRAB9AL3MBTL1NPC1GAA
SCHEMBL4727973 0.84 MAPT (0.53) MAPTALDH1A1RAB9AL3MBTL1NPC1
SCHEMBL26688263 0.84 MAPT (0.53) MAPTALDH1A1RAB9AL3MBTL1NPC1
SCHEMBL2893781 0.83 PIM1 (0.62) MAPTALDH1A1RAB9AL3MBTL1NPC1
SCHEMBL6983248 0.82 MAPT (0.51) MAPTALDH1A1RAB9AL3MBTL1NPC1
SCHEMBL26244635 0.82 MAPT (0.49) MAPTALDH1A1RAB9AL3MBTL1NPC1
SCHEMBL1608781 0.81 MAPT (0.50) MAPTALDH1A1RAB9AL3MBTL1PDE7A
SCHEMBL7389995 0.80 PIM1 (0.68) MAPTALDH1A1PIM1GAAKMT2A
SCHEMBL6983854 0.80 MAPT (0.51) MAPTALDH1A1RAB9AL3MBTL1NPC1

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 6 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
EP-1011665-A4 HETEROCYCLIC AGENTS LILLY CO ELI (US) 2001-09-12 EP disclosed
EP-1011665-A1 HETEROCYCLIC AGENTS ELI LILLY AND COMPANY (US) 2000-06-28 EP disclosed
WO-1998040068-A1 HETEROCYCLIC AGENTS ELI LILLY AND COMPANY (US) 1998-09-17 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 MAPT 4824/4885ALDH1A1 1026/4885RAB9A 3825/4885

“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.