SCHEMBL6983414

SCHEMBL6983414

CCOC(=O)CC(O)c1ccc([N+](=O)[O-])c(C)c1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 8/20 0.48
▸ LMNA P02545 5/20 0.48
▸ KDM4E B2RXH2 2/20 0.48
▸ TSHR P16473 1/20 0.44
▸ SMN1; SMN2 Q16637 3/20 0.44
▸ ALDH1A1 P00352 4/20 0.41
▸ POLB P06746 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ PKM P14618 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ RECQL P46063 1/20 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
SCHEMBL6987305 0.86 ALDH1A1 (0.46) MAPTLMNAKDM4EALDH1A1HPGD
SCHEMBL1508442 0.81 MAPT (0.66) MAPTLMNAKDM4ESMN1; SMN2ALDH1A1
SCHEMBL3726022 0.81 TSHR (0.49) MAPTLMNAKDM4ETSHRSMN1; SMN2
SCHEMBL2527072 0.80 TSHR (0.48) MAPTLMNATSHRSMN1; SMN2ALDH1A1
SCHEMBL5462439 0.79 TSHR (0.49) MAPTKDM4ETSHRSMN1; SMN2ALDH1A1
SCHEMBL27705159 0.77 TSHR (0.47) MAPTLMNAKDM4ETSHRSMN1; SMN2
SCHEMBL13968017 0.75 TSHR (0.43) MAPTLMNAKDM4ETSHRSMN1; SMN2
SCHEMBL26264596 0.75 LMNA (0.50) MAPTLMNAKDM4ETSHRSMN1; SMN2
SCHEMBL1508572 0.75 FFAR1 (0.69) MAPTLMNAKDM4ESMN1; SMN2ALDH1A1
SCHEMBL8771122 0.75 SLC6A3 (0.49) MAPTLMNAKDM4ETSHRSMN1; 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 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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