SCHEMBL361906

SCHEMBL361906

Cc1ccccc1C(CC(=O)c1ccncc1)c1ccc(N(C)C)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 3/20 0.57
ALDH1A1 P00352 6/20 0.43
L3MBTL1 Q9Y468 3/20 0.43
GAA P10253 2/20 0.43
MGAM O43451 1/20 0.41
SI P14410 1/20 0.41
MGAM2 Q2M2H8 1/20 0.41
HPGD P15428 2/20 0.41
PLOD2 O00469 1/20 0.41
PLOD3 O60568 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
PLOD1 Q02809 1/20 0.41
HIF1A Q16665 1/20 0.41
KDM4E B2RXH2 3/20 0.41
KMT2A Q03164 1/20 0.41
CNR2 P34972 1/20 0.41

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
SCHEMBL15949181 0.88 CNR2 (0.47) GPBAR1ALDH1A1L3MBTL1GAAMGAM
SCHEMBL369701 0.87 GPBAR1 (0.68) GPBAR1ALDH1A1L3MBTL1GAAHPGD
SCHEMBL363384 0.85 MGAM (0.51) GPBAR1ALDH1A1L3MBTL1GAAMGAM
SCHEMBL15949034 0.85 GPBAR1 (0.42) GPBAR1ALDH1A1L3MBTL1GAAMGAM
SCHEMBL1389941 0.85 GPBAR1 (0.80) GPBAR1ALDH1A1L3MBTL1GAAHPGD
SCHEMBL1389944 0.85 GPBAR1 (0.80) GPBAR1ALDH1A1L3MBTL1GAAHPGD
SCHEMBL1389946 0.85 GPBAR1 (0.80) GPBAR1ALDH1A1L3MBTL1GAAHPGD
SCHEMBL364286 0.84 GPBAR1 (0.52) GPBAR1ALDH1A1L3MBTL1GAAHPGD
SCHEMBL1390078 0.84 GPBAR1 (0.56) GPBAR1ALDH1A1L3MBTL1GAAMGAM
SCHEMBL368623 0.82 GPBAR1 (0.55) GPBAR1ALDH1A1L3MBTL1GAAHPGD

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 6 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 claimed
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 1/4885ALDH1A1 132/4885L3MBTL1 2596/4885

“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.