SCHEMBL6977371

SCHEMBL6977371

CCOC(=O)CC(O)Cc1ccc(OC)c([N+](=O)[O-])c1

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 15/20 0.60
SMN1; SMN2 Q16637 1/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
LMNA P02545 2/20 0.47
HTT P42858 2/20 0.46
GAA P10253 1/20 0.46
HPGD P15428 1/20 0.46
MAPT P10636 1/20 0.44
GFER P55789 1/20 0.43
PKM P14618 1/20 0.42

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
SCHEMBL5091684 0.83 ALDH1A1 (0.60) ALDH1A1SMN1; SMN2MEN1KMT2ALMNA
SCHEMBL6982170 0.80 MAPT (0.51) ALDH1A1MEN1KMT2ALMNAHTT
SCHEMBL5829506 0.79 MAPT (0.56) ALDH1A1SMN1; SMN2LMNAGAAMAPT
SCHEMBL6984451 0.79 ALDH1A1 (0.55) ALDH1A1SMN1; SMN2MEN1KMT2ALMNA
SCHEMBL6985873 0.79 ALDH1A1 (0.58) ALDH1A1SMN1; SMN2MEN1KMT2ALMNA
SCHEMBL11669933 0.78 MAPT (0.51) ALDH1A1SMN1; SMN2MEN1KMT2ALMNA
SCHEMBL4334179 0.78 ALDH1A1 (0.58) ALDH1A1SMN1; SMN2MEN1KMT2ALMNA
SCHEMBL6986648 0.77 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2MEN1KMT2ALMNA
SCHEMBL27372203 0.76 ALDH1A1 (0.97) ALDH1A1SMN1; SMN2MEN1KMT2ALMNA
SCHEMBL13957608 0.74 ALDH1A1 (0.77) ALDH1A1SMN1; SMN2MEN1KMT2ALMNA

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 ALDH1A1 1026/4885SMN1; SMN2 4321/4885MEN1 4556/4885

“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.