SCHEMBL6983789

SCHEMBL6983789

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.45
RAB9A P51151 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MAPT P10636 6/20 0.43
ALDH1A1 P00352 4/20 0.43
POLB P06746 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
KDM4E B2RXH2 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
MEN1 O00255 1/20 0.37
TTR P02766 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
HPGD P15428 1/20 0.37
ALOX15 P16050 1/20 0.37
ALOX12 P18054 1/20 0.37
MAPK1 P28482 1/20 0.37
RECQL P46063 1/20 0.37
PMP22 Q01453 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL28352404 0.85 LMNA (0.44) LMNARAB9AL3MBTL1MAPTALDH1A1
SCHEMBL6982222 0.82 CA1 (0.47) RAB9AL3MBTL1MAPTALDH1A1SMN1; SMN2
SCHEMBL7157269 0.81 MAPT (0.47) LMNARAB9AL3MBTL1MAPTALDH1A1
SCHEMBL6983854 0.80 MAPT (0.51) LMNARAB9AL3MBTL1MAPTALDH1A1
SCHEMBL7847287 0.80 GAA (0.45) LMNARAB9AL3MBTL1MAPTALDH1A1
SCHEMBL655464 0.76 CA12 (0.56) LMNARAB9AMAPTPOLBSMN1; SMN2
SCHEMBL12480507 0.75 LMNA (0.54) LMNARAB9AL3MBTL1MAPTALDH1A1
SCHEMBL16734216 0.74 ALDH1A1 (0.44) LMNARAB9AL3MBTL1MAPTALDH1A1
SCHEMBL4674251 0.73 LMNA (0.53) LMNARAB9AMAPTALDH1A1SMN1; SMN2
SCHEMBL6979379 0.73 MAPT (0.55) RAB9AL3MBTL1MAPTPOLBSMN1; SMN2

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 LMNA 2609/4885RAB9A 3825/4885L3MBTL1 4088/4885

“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.