SCHEMBL6981071

SCHEMBL6981071

CCOC(=O)CC(O)c1cc([N+](=O)[O-])ccc1C

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.53
▸ LMNA P02545 4/20 0.51
▸ KDM4E B2RXH2 2/20 0.51
▸ ALDH1A1 P00352 7/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ MAPK1 P28482 2/20 0.45
▸ GAA P10253 1/20 0.45
▸ TSHR P16473 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ PPARG P37231 1/20 0.43
▸ GLO1 Q04760 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL17742882 0.81 ALDH1A1 (0.54) MAPTLMNAKDM4EALDH1A1KMT2A
SCHEMBL1508442 0.81 MAPT (0.66) MAPTLMNAKDM4EALDH1A1KMT2A
SCHEMBL4656847 0.78 ALDH1A1 (0.52) MAPTLMNAKDM4EALDH1A1KMT2A
SCHEMBL6984431 0.78 MAPT (0.41) MAPTLMNAKDM4EALDH1A1KMT2A
SCHEMBL28788158 0.75 MAPT (0.52) MAPTLMNAKDM4EALDH1A1KMT2A
SCHEMBL18993967 0.75 ALDH1A1 (0.60) MAPTLMNAKDM4EALDH1A1KMT2A
SCHEMBL4658227 0.75 ALDH1A1 (0.51) MAPTLMNAALDH1A1KMT2AMAPK1
SCHEMBL17879526 0.75 LMNA (0.46) MAPTLMNAALDH1A1KMT2ATSHR
SCHEMBL16979679 0.75 NPC1 (0.46) MAPTLMNAALDH1A1KMT2ATSHR
SCHEMBL10249906 0.74 TSHR (0.47) ALDH1A1KMT2ATSHR

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1437587-A Benzoxazepinones and their use as squalene synthetase inhibitors TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2003-08-20 — — CN disclosed
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 4824/4885LMNA 2609/4885KDM4E 1236/4885

“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.

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