SCHEMBL6984451

SCHEMBL6984451

CCOC(=O)CCCc1ccc(OC)c([N+](=O)[O-])c1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 13/20 0.55
TNF P01375 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.49
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
LMNA P02545 2/20 0.48
KDM4E B2RXH2 1/20 0.48
MAPT P10636 1/20 0.48
GAA P10253 1/20 0.48
HTT P42858 1/20 0.48
HPGD P15428 1/20 0.48
TDP1 Q9NUW8 1/20 0.47
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45

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
SCHEMBL7899889 0.85 ALDH1A1 (0.58) ALDH1A1SMN1; SMN2MEN1KMT2ALMNA
SCHEMBL5091684 0.85 ALDH1A1 (0.60) ALDH1A1SMN1; SMN2MEN1KMT2ALMNA
SCHEMBL27593722 0.84 MAPT (0.51) ALDH1A1TNFSMN1; SMN2KMT2ALMNA
SCHEMBL11733932 0.83 LMNA (0.55) SMN1; SMN2KMT2ALMNA
SCHEMBL4641790 0.81 CYP4F2 (0.50) ALDH1A1TNFSMN1; SMN2KMT2ALMNA
SCHEMBL3949693 0.81 ALDH1A1 (0.58) ALDH1A1SMN1; SMN2MEN1KMT2ALMNA
SCHEMBL4643983 0.81 MAPT (0.44) ALDH1A1TNFSMN1; SMN2KMT2ALMNA
SCHEMBL4644996 0.81 CYP4F2 (0.49) ALDH1A1TNFSMN1; SMN2KMT2ALMNA
SCHEMBL6985873 0.81 ALDH1A1 (0.58) ALDH1A1SMN1; SMN2MEN1KMT2ALMNA
SCHEMBL21824145 0.80 ALDH1A1 (0.58) ALDH1A1TNFSMN1; SMN2KMT2ALMNA

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 1026/4885TNF 3938/4885SMN1; SMN2 4321/4885

“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.