SCHEMBL6986632

SCHEMBL6986632

CCOC(=O)CC(=O)c1ccc(NC(C)=O)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 4/20 0.62
HDAC4 P56524 4/20 0.62
HDAC1 Q13547 4/20 0.62
HDAC7 Q8WUI4 4/20 0.62
HDAC2 Q92769 4/20 0.62
HDAC10 Q969S8 4/20 0.62
HDAC11 Q96DB2 4/20 0.62
HDAC8 Q9BY41 4/20 0.62
HDAC6 Q9UBN7 4/20 0.62
HDAC9 Q9UKV0 4/20 0.62
HDAC5 Q9UQL6 4/20 0.62
TSHR P16473 1/20 0.59
MAPT P10636 4/20 0.58
RAB9A P51151 2/20 0.58
ALDH1A1 P00352 3/20 0.58
TP53 P04637 1/20 0.58
HIF1A Q16665 1/20 0.58
CYP2C19 P33261 1/20 0.56
PPID Q08752 1/20 0.55
KMT2A Q03164 2/20 0.54

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
SCHEMBL11516939 0.82 RAB9A (0.54) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL4289783 0.81 HPGD (0.71) TSHRMAPTRAB9AALDH1A1TP53
SCHEMBL572 0.81 KMT2A (0.58) TSHRMAPTRAB9AALDH1A1KMT2A
SCHEMBL11817229 0.81 PPID (0.55) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL10805330 0.80 HDAC3 (0.58) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL11515591 0.80 TSHR (0.66) TSHRMAPTRAB9AALDH1A1TP53
SCHEMBL8085697 0.80 CA12 (0.61) TSHRMAPTRAB9AALDH1A1KMT2A
SCHEMBL8585196 0.80 ALDH1A1 (0.53) TSHRMAPTRAB9AALDH1A1TP53
SCHEMBL6116173 0.79 ALDH1A1 (0.57) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL3619479 0.79 ALDH1A1 (0.70) HDAC3HDAC4HDAC1HDAC7HDAC2

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 HDAC3 900/4885HDAC4 1104/4885HDAC1 1280/4885

“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.