SCHEMBL6983992

SCHEMBL6983992

CCOC(=O)CC(O)c1cccc([N+](=O)[O-])c1C

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 1/20 0.46
▸ SMN1; SMN2 Q16637 4/20 0.45
▸ ALDH1A1 P00352 5/20 0.45
▸ TSHR P16473 3/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ MAPT P10636 5/20 0.43
▸ KDM4E B2RXH2 2/20 0.43
▸ LMNA P02545 2/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ MAPK1 P28482 2/20 0.42
▸ CYP1A2 P05177 1/20 0.41
▸ GLA P06280 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ RECQL P46063 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ GAA P10253 2/20 0.39
▸ POLB P06746 1/20 0.39

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
SCHEMBL17847094 0.85 TDP1 (0.44) TDP1SMN1; SMN2ALDH1A1TSHRL3MBTL1
SCHEMBL19689359 0.85 TDP1 (0.44) TDP1SMN1; SMN2ALDH1A1TSHRL3MBTL1
SCHEMBL7145479 0.79 TDP1 (0.56) TDP1SMN1; SMN2ALDH1A1TSHRL3MBTL1
SCHEMBL6873521 0.76 ALDH1A1 (0.51) SMN1; SMN2ALDH1A1TSHRL3MBTL1MAPT
SCHEMBL14188940 0.76 MAPT (0.50) SMN1; SMN2ALDH1A1MAPTKDM4ELMNA
SCHEMBL6985762 0.76 TSHR (0.57) TDP1SMN1; SMN2ALDH1A1TSHRL3MBTL1
SCHEMBL3727437 0.75 TDP1 (0.51) TDP1SMN1; SMN2ALDH1A1TSHRRAB9A
SCHEMBL18288241 0.75 ALDH1A1 (0.60) TDP1SMN1; SMN2ALDH1A1TSHRL3MBTL1
SCHEMBL3224732 0.75 NLRP3 (0.44) SMN1; SMN2ALDH1A1TSHRMAPTRAB9A
SCHEMBL29960754 0.74 ALDH1A1 (0.49) SMN1; SMN2ALDH1A1TSHRL3MBTL1MAPT

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 TDP1 3755/4885SMN1; SMN2 4321/4885ALDH1A1 1026/4885

“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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