SCHEMBL6986834

SCHEMBL6986834

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

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ NLRP3 Q96P20 3/20 0.44
▸ MAPT P10636 6/20 0.41
▸ AKR1B1 P15121 1/20 0.41
▸ KMT2A Q03164 4/20 0.40
▸ MEN1 O00255 3/20 0.40
▸ LMNA P02545 4/20 0.39
▸ ALDH1A1 P00352 3/20 0.39
▸ GAA P10253 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ GLA P06280 1/20 0.39
▸ SMN1; SMN2 Q16637 3/20 0.38
▸ HTT P42858 1/20 0.38
▸ NCOA3 Q9Y6Q9 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ GLO1 Q04760 1/20 0.37

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
SCHEMBL4265834 0.78 MEN1 (0.45) NLRP3MAPTKMT2AMEN1LMNA
SCHEMBL6983176 0.77 ALDH1A1 (0.55) MAPTKMT2AMEN1LMNAALDH1A1
SCHEMBL6984431 0.77 MAPT (0.41) NLRP3MAPTKMT2AMEN1LMNA
SCHEMBL28852443 0.76 NPC1 (0.55) MAPTKMT2AMEN1LMNAALDH1A1
SCHEMBL5750687 0.75 KMT2A (0.49) MAPTKMT2AMEN1LMNAALDH1A1
SCHEMBL19255040 0.74 KMT2A (0.48) MAPTKMT2AMEN1LMNAALDH1A1
SCHEMBL7677787 0.74 SMN1; SMN2 (0.45) NLRP3MAPTKMT2AMEN1LMNA
SCHEMBL8298958 0.74 KMT2A (0.41) NLRP3MAPTKMT2AMEN1LMNA
SCHEMBL7255748 0.73 KMT2A (0.42) NLRP3MAPTKMT2AMEN1ALDH1A1
SCHEMBL7255746 0.73 KMT2A (0.42) NLRP3MAPTKMT2AMEN1ALDH1A1

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 NLRP3 1650/4885MAPT 4824/4885AKR1B1 177/4885

“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.

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