SCHEMBL368295

SCHEMBL368295

Cc1cc(F)ccc1C(C/C(=N/O)c1ccc(=O)n(C)c1)c1ccc(-c2ccc(N)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 4/20 0.42
FFAR1 O14842 3/20 0.31
KEAP1 Q14145 1/20 0.31
NFE2L2 Q16236 1/20 0.31
HSD11B1 P28845 2/20 0.31
DPP4 P27487 1/20 0.30
DPP7 Q9UHL4 1/20 0.30
HDAC1 Q13547 2/20 0.30
HDAC3 O15379 1/20 0.30
KCNH2 Q12809 1/20 0.30
HDAC2 Q92769 1/20 0.30

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
SCHEMBL368294 1.00 GPBAR1 (0.42) GPBAR1FFAR1KEAP1NFE2L2HSD11B1
SCHEMBL368296 1.00 GPBAR1 (0.42) GPBAR1FFAR1KEAP1NFE2L2HSD11B1
SCHEMBL1389738 0.92 GPBAR1 (0.51) GPBAR1FFAR1KEAP1NFE2L2HSD11B1
SCHEMBL1389744 0.92 GPBAR1 (0.51) GPBAR1FFAR1KEAP1NFE2L2HSD11B1
SCHEMBL1389743 0.92 GPBAR1 (0.51) GPBAR1FFAR1KEAP1NFE2L2HSD11B1
SCHEMBL1389860 0.90 GPBAR1 (0.40) GPBAR1
SCHEMBL1389857 0.90 GPBAR1 (0.40) GPBAR1
SCHEMBL1390246 0.90 GPBAR1 (0.40) GPBAR1
SCHEMBL1389930 0.90 GPBAR1 (0.40) GPBAR1
SCHEMBL1390245 0.90 GPBAR1 (0.40) GPBAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2593426-B1 1-HYDROXYIMINO-3-PHENYL-PROPANES HOFFMANN LA ROCHE (CH) 2014-08-20 EP disclosed
US-8765730-B2 1-hydroxyimino-3-phenyl-propanes Hoffmann-La Roche Inc (US) 2014-07-01 US disclosed
EP-2593426-A1 1-HYDROXYIMINO-3-PHENYL-PROPANES F.HOFFMANN-LA ROCHE AG (CH) 2013-05-22 EP disclosed
WO-2012007365-A1 1-HYDROXYIMINO-3-PHENYL-PROPANES F. HOFFMANN-LA ROCHE AG (CH) 2012-01-19 WO disclosed
US-20120010190-A1 1-HYDROXYIMINO-3-PHENYL-PROPANES F. HOFFMANN-LA ROCHE AG (CH) 2012-01-12 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 (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-20120010190-A1 1-HYDROXYIMINO-3-PHENYL-PROPANES GPBAR1, GPR119, ADRB1 GPBAR1 1/4885FFAR1 14/4885KEAP1 1693/4885

“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.