SCHEMBL6983248

SCHEMBL6983248

CCCc1cc([N+](=O)[O-])cc2cc(C(=O)OCC)oc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.51
NPC1 O15118 1/20 0.44
GAA P10253 2/20 0.41
RAB9A P51151 2/20 0.41
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
LMNA P02545 2/20 0.39
HPGD P15428 2/20 0.39
ALOX15 P16050 2/20 0.39
ALOX12 P18054 2/20 0.39
HSD17B10 Q99714 2/20 0.39
TP53 P04637 1/20 0.39
HSP90AA1 P07900 1/20 0.39
TSHR P16473 1/20 0.39
ALOX5 P09917 1/20 0.39
KCNJ1 P48048 1/20 0.38
KCNH2 Q12809 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38

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
SCHEMBL6987618 0.91 MAPT (0.54) MAPTNPC1GAARAB9ALMNA
SCHEMBL6979379 0.85 MAPT (0.55) MAPTNPC1GAARAB9AMEN1
SCHEMBL26688263 0.83 MAPT (0.53) MAPTNPC1GAARAB9AALDH1A1
SCHEMBL4727973 0.83 MAPT (0.53) MAPTNPC1GAARAB9AMEN1
SCHEMBL6985505 0.82 MAPT (0.73) MAPTNPC1GAARAB9AMEN1
Hydrochloric Acid SCHEMBL6981609 0.79 MAPT (0.41) MAPTNPC1GAARAB9AMEN1
SCHEMBL2249264 0.75 POLB (0.52) MAPTNPC1GAARAB9AMEN1
SCHEMBL29592689 0.75 POLB (0.52) MAPTNPC1GAARAB9AMEN1
SCHEMBL4780935 0.75 MAPT (0.45) MAPTNPC1GAARAB9ALMNA
SCHEMBL1982581 0.74 GPR35 (0.53) MAPTNPC1GAARAB9AMEN1

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 MAPT 4824/4885NPC1 250/4885GAA 1185/4885

“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.