SCHEMBL6984431

SCHEMBL6984431

CCOC(=O)CC(O)c1cc([N+](=O)[O-])cc2c1CCCC2

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.41
▸ KDM4E B2RXH2 3/20 0.41
▸ LMNA P02545 2/20 0.41
▸ NLRP3 Q96P20 3/20 0.40
▸ NPC1 O15118 1/20 0.38
▸ KMT2A Q03164 4/20 0.36
▸ MEN1 O00255 3/20 0.36
▸ ALDH1A1 P00352 3/20 0.36
▸ HPGD P15428 2/20 0.36
▸ TSHR P16473 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ GLA P06280 1/20 0.35
▸ KCNJ1 P48048 1/20 0.35
▸ KCNH2 Q12809 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ RAB9A P51151 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL6981071 0.78 MAPT (0.53) MAPTKDM4ELMNAKMT2AALDH1A1
SCHEMBL6986834 0.77 NLRP3 (0.44) MAPTKDM4ELMNANLRP3NPC1
SCHEMBL7255748 0.71 KMT2A (0.42) MAPTNLRP3NPC1KMT2AMEN1
SCHEMBL7255746 0.71 KMT2A (0.42) MAPTNLRP3NPC1KMT2AMEN1
SCHEMBL1508442 0.70 MAPT (0.66) MAPTKDM4ELMNANPC1KMT2A
SCHEMBL4265834 0.66 MEN1 (0.45) MAPTLMNANLRP3KMT2AMEN1
SCHEMBL6983414 0.66 MAPT (0.48) MAPTKDM4ELMNANPC1ALDH1A1
SCHEMBL6983992 0.66 TDP1 (0.46) MAPTKDM4ELMNAKMT2AMEN1
SCHEMBL14188940 0.66 MAPT (0.50) MAPTKDM4ELMNANPC1KMT2A
SCHEMBL5829506 0.65 MAPT (0.56) MAPTKDM4ELMNAALDH1A1KCNJ1

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 MAPT 4824/4885KDM4E 1236/4885LMNA 2609/4885

“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.

Send feedback