SCHEMBL6981282

SCHEMBL6981282

CCCc1cc([N+](=O)[O-])cc(C=O)c1O

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 8/20 0.56
HTT P42858 3/20 0.44
POLB P06746 1/20 0.44
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
LMNA P02545 1/20 0.42
GALR3 O60755 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ALDH1A1 P00352 1/20 0.38
GPR35 Q9HC97 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
SCHEMBL6981731 0.89 ERN1 (0.60) ERN1HTTPOLBMEN1KMT2A
SCHEMBL29607767 0.89 ERN1 (0.60) ERN1HTTPOLBMEN1KMT2A
SCHEMBL8114375 0.83 ERN1 (0.56) ERN1HTTPOLBMEN1KMT2A
SCHEMBL31046602 0.83 ERN1 (0.56) ERN1HTTPOLBMEN1KMT2A
SCHEMBL31046599 0.81 ERN1 (0.55) ERN1HTTPOLBMEN1KMT2A
SCHEMBL1300815 0.81 ERN1 (0.55) ERN1HTTPOLBMEN1KMT2A
SCHEMBL14439766 0.81 ERN1 (0.55) ERN1HTTPOLBMEN1KMT2A
SCHEMBL4349087 0.81 ERN1 (0.55) ERN1HTTPOLBMEN1KMT2A
SCHEMBL11250231 0.81 ERN1 (0.62) ERN1HTTPOLBMEN1KMT2A
SCHEMBL12492120 0.80 ERN1 (0.69) ERN1HTTMEN1KMT2ALMNA

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 ERN1 2029/4885HTT 4475/4885POLB 4028/4885

“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.