SCHEMBL6983176

SCHEMBL6983176

CCOC(=O)CC(=O)c1cc([N+](=O)[O-])ccc1C

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.55
KMT2A Q03164 4/20 0.55
MAPT P10636 5/20 0.55
LMNA P02545 3/20 0.52
GAA P10253 2/20 0.52
MAPK1 P28482 2/20 0.52
SMN1; SMN2 Q16637 3/20 0.51
MEN1 O00255 3/20 0.51
KDM4E B2RXH2 1/20 0.50
HTT P42858 2/20 0.47
THRB P10828 1/20 0.47
TSHR P16473 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
GLO1 Q04760 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
RAB9A P51151 1/20 0.44

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
SCHEMBL20767368 0.85 SMN1; SMN2 (0.53) ALDH1A1KMT2AMAPTLMNAGAA
SCHEMBL9080448 0.84 SMN1; SMN2 (0.55) ALDH1A1KMT2AMAPTLMNAGAA
SCHEMBL11278115 0.84 TDP1 (0.57) ALDH1A1KMT2AMAPTLMNAGAA
SCHEMBL550516 0.82 SMN1; SMN2 (0.63) ALDH1A1KMT2AMAPTGAASMN1; SMN2
SCHEMBL6554327 0.82 ALDH1A1 (0.55) ALDH1A1KMT2AMAPTLMNAGAA
SCHEMBL276340 0.80 LMNA (0.59) ALDH1A1KMT2AMAPTLMNAGAA
SCHEMBL1166949 0.79 KMT2A (0.54) ALDH1A1KMT2AMAPTGAAMAPK1
SCHEMBL31415407 0.78 GSK3B (0.56) ALDH1A1KMT2AMAPTLMNAGAA
SCHEMBL12491792 0.78 ALDH1A1 (0.53) ALDH1A1KMT2AMAPTLMNAGAA
SCHEMBL1110091 0.78 KMT2A (0.62) ALDH1A1KMT2AMAPTGAAMAPK1

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 ALDH1A1 1026/4885KMT2A 2350/4885MAPT 4824/4885

“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.