SCHEMBL464347

SCHEMBL464347

CC(C)(C)OC(=O)NC1CNc2ccc(Br)cc2C1

nearest known ligand 0.70

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.70
HDAC8 Q9BY41 9/20 0.46
AAK1 Q2M2I8 3/20 0.40
GAA P10253 1/20 0.38
MAPK1 P28482 2/20 0.38
KDM1A O60341 1/20 0.37
MAOB P27338 1/20 0.37
NPC1 O15118 1/20 0.37
RECQL P46063 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 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
SCHEMBL3287288 0.85 EPHX2 (0.70) EPHX2HDAC8GAAMAPK1KDM1A
SCHEMBL29500985 0.83 EPHX2 (0.48) EPHX2AAK1GAAKDM1AMAOB
SCHEMBL28446831 0.83 EPHX2 (0.48) EPHX2AAK1GAAKDM1AMAOB
SCHEMBL12894150 0.82 EPHX2 (0.65) EPHX2HDAC8GAAMAPK1KDM1A
SCHEMBL461147 0.82 EPHX2 (0.65) EPHX2HDAC8AAK1MAPK1
SCHEMBL29500956 0.82 EPHX2 (0.47) EPHX2AAK1GAAKDM1AMAOB
SCHEMBL28449176 0.82 EPHX2 (0.47) EPHX2AAK1GAAKDM1AMAOB
SCHEMBL464351 0.82 EPHX2 (1.00) EPHX2HDAC8GAAMAPK1KDM1A
SCHEMBL7239168 0.82 HDAC8 (0.52) EPHX2HDAC8MAPK1
SCHEMBL29878515 0.82 EPHX2 (0.50) EPHX2AAK1GAAKDM1AMAOB

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2613775-B1 N-HYDROXY-BENZAMIDES FOR THE TREATMENT OF CANCER HOFFMANN LA ROCHE (CH) 2014-07-30 EP disclosed
US-8716285-B2 N-hydroxy-benzamids for the treatment of cancer HOFFMANN-LA ROCHE INC. (US) 2014-05-06 US disclosed
US-20120065204-A1 NOVEL N-HYDROXY-BENZAMIDS FOR THE TREATMENT OF CANCER F. HOFFMANN-LA ROCHE AG (CH) 2012-03-15 US disclosed
WO-2012031993-A1 NOVEL N-HYDROXY-BENZAMIDES FOR THE TREATMENT OF CANCER F. HOFFMANN-LA ROCHE AG (CH) 2012-03-15 WO disclosed
US-8119808-B2 Tetrahydroquinoline derivatives as cannabinoid receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2012-02-21 US disclosed
US-8119808-B2 Tetrahydroquinoline derivatives as cannabinoid receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2012-02-21 US disclosed
US-20110104315-A1 TETRAHYDROQUINOLINE DERIVATIVES AS CANNABINOID RECEPTOR MODULATORS BRISTOL-MYERS SQUIBB COMPANY 2011-05-05 US disclosed
US-20110104315-A1 TETRAHYDROQUINOLINE DERIVATIVES AS CANNABINOID RECEPTOR MODULATORS BRISTOL-MYERS SQUIBB COMPANY 2011-05-05 US disclosed
US-7884113-B2 Tetrahydroquinoline derivatives as cannabinoid receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2011-02-08 US disclosed
US-7884113-B2 Tetrahydroquinoline derivatives as cannabinoid receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2011-02-08 US disclosed
US-20080200459-A1 TETRAHYDROQUINOLINE CANNABINOID RECEPTOR MODULATORS BRISTOL-MYERS SQUIBB COMPANY 2008-08-21 US disclosed
US-20080200459-A1 TETRAHYDROQUINOLINE CANNABINOID RECEPTOR MODULATORS BRISTOL-MYERS SQUIBB COMPANY 2008-08-21 US disclosed
US-20080194625-A1 TETRAHYDROQUINOLINE DERIVATIVES AS CANNABINOID RECEPTOR MODULATORS BRISTOL-MYERS SQUIBB COMPANY 2008-08-14 US disclosed
US-20080194625-A1 TETRAHYDROQUINOLINE DERIVATIVES AS CANNABINOID RECEPTOR MODULATORS BRISTOL-MYERS SQUIBB COMPANY 2008-08-14 US disclosed
EP-1644335-A4 TETRAHYDROQUINOLINE DERIVATIVES AS CANNABINOID RECEPTOR MODULATORS BRISTOL MYERS SQUIBB CO (US) 2008-06-04 EP disclosed
WO-2006078697-A1 BICYCLIC HETEROCYCLES AS CANNABINOID RECEPTOR MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2006-07-27 WO disclosed
US-20060160850-A1 Bicyclic heterocycles as cannabinoid receptor modulators BRISTOL-MYERS SQUIBB COMPANY 2006-07-20 US disclosed
EP-1644335-A1 TETRAHYDROQUINOLINE DERIVATIVES AS CANNABINOID RECEPTOR MODULATORS Bristol-Myers Squibb Company (US) 2006-04-12 EP disclosed
WO-2005007628-A1 TETRAHYDROQUINOLINE DERIVATIVES AS CANNABINOID RECEPTOR MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2005-01-27 WO disclosed
US-20050014786-A1 Tetrahydroquinoline derivatives as cannabinoid receptor modulators BRISTOL-MYERS SQUIBB COMPANY 2005-01-20 US 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 (6 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-20110104315-A1 TETRAHYDROQUINOLINE DERIVATIVES AS CANNABINOID RECEPTOR MODULATORS CNR2, CNR1, OPRL1 EPHX2 1569/4885HDAC8 2618/4885AAK1 903/4885
US-20050014786-A1 Tetrahydroquinoline derivatives as cannabinoid receptor modulators CNR2, CNR1, OPRL1 EPHX2 1569/4885HDAC8 2618/4885AAK1 903/4885
US-20120065204-A1 NOVEL N-HYDROXY-BENZAMIDS FOR THE TREATMENT OF CANCER HNMT, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, HRAS EPHX2 1145/4885HDAC8 304/4885AAK1 4667/4885
US-20080200459-A1 TETRAHYDROQUINOLINE CANNABINOID RECEPTOR MODULATORS CNR1, CNR2, GPR18 EPHX2 753/4885HDAC8 2230/4885AAK1 1104/4885
US-20060160850-A1 Bicyclic heterocycles as cannabinoid receptor modulators CNR1, CNR2, GPR18 EPHX2 531/4885HDAC8 1200/4885AAK1 1211/4885
US-20080194625-A1 TETRAHYDROQUINOLINE DERIVATIVES AS CANNABINOID RECEPTOR MODULATORS CNR2, CNR1, OPRL1 EPHX2 1569/4885HDAC8 2618/4885AAK1 903/4885

“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.