SCHEMBL6093053

SCHEMBL6093053

COc1ccc(CCC(C(N)=O)c2ccccc2)cc1OC

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.57
ALDH1A1 P00352 4/20 0.54
KDM4E B2RXH2 2/20 0.54
STAT3 P40763 1/20 0.54
ADRB2 P07550 2/20 0.53
LMNA P02545 1/20 0.53
LDHA P00338 1/20 0.51
MEN1 O00255 2/20 0.50
MAPK1 P28482 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
GAA P10253 1/20 0.49
ATM Q13315 1/20 0.49
MAPT P10636 1/20 0.48
REN P00797 1/20 0.48
CTSD P07339 1/20 0.48
EPHX1 P07099 1/20 0.48
POLB P06746 1/20 0.47
ADRB1 P08588 1/20 0.47
ADRB3 P13945 1/20 0.47

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
SCHEMBL6094269 0.92 KMT2A (0.55) KMT2AALDH1A1KDM4ESTAT3ADRB2
SCHEMBL29501713 0.88 KDM4E (0.47) KMT2AALDH1A1KDM4ELMNAMEN1
SCHEMBL6096331 0.87 STAT3 (0.51) KMT2AALDH1A1KDM4ESTAT3ADRB2
SCHEMBL29184136 0.86 EPHX1 (0.62) KMT2AALDH1A1KDM4EADRB2LMNA
SCHEMBL29184114 0.86 EPHX1 (0.62) KMT2AALDH1A1KDM4EADRB2LMNA
SCHEMBL27670380 0.80 STAT3 (0.55) KMT2AALDH1A1KDM4ESTAT3ADRB2
SCHEMBL27592490 0.79 EPHX1 (0.68) KMT2ALMNAEPHX1POLB
SCHEMBL5733940 0.79 STAT3 (0.51) KMT2AALDH1A1KDM4ESTAT3ADRB2
SCHEMBL3348404 0.79 STAT3 (0.65) KMT2AALDH1A1KDM4ESTAT3ADRB2
SCHEMBL7751022 0.77 STAT3 (0.55) KMT2AALDH1A1KDM4ESTAT3ADRB2

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7078565-B2 Benzamide derivatives as antagonists of orexin receptors SMITHKLINE BEECHAM PLC (GB) 2006-07-18 US claimed
EP-1440052-B1 BENZAMIDE DERIVATIVES AS ANTAGONISTS OF OREXIN RECEPTORS SMITHKLINE BEECHAM PLC (GB) 2005-12-14 EP claimed
US-7078565-B2 Benzamide derivatives as antagonists of orexin receptors SMITHKLINE BEECHAM PLC (GB) 2006-07-18 US disclosed
EP-1440052-B1 BENZAMIDE DERIVATIVES AS ANTAGONISTS OF OREXIN RECEPTORS SMITHKLINE BEECHAM PLC (GB) 2005-12-14 EP disclosed
US-20050020584-A1 Benzamide derivatives as antagonists of orexin receptors SMITHKLINE BEECHAM P.L.C. (GB) 2005-01-27 US disclosed
EP-1440052-A1 BENZAMIDE DERIVATIVES AS ANTAGONISTS OF OREXIN RECEPTORS SMITHKLINE BEECHAM PLC (GB) 2004-07-28 EP disclosed
WO-2003037847-A1 BENZAMIDE DERIVATIVES AS ANTAGONISTS OF OREXIN RECEPTORS SMITHKLINE BEECHAM P.L.C. (GB) 2003-05-08 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-20050020584-A1 Benzamide derivatives as antagonists of orexin receptors HCRTR2, HCRTR1, OXTR KMT2A 793/4885ALDH1A1 1342/4885KDM4E 1277/4885

“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.