SCHEMBL1389918

SCHEMBL1389918

Cc1ccccc1C(CC(=NO)c1ccc(=O)n(C)c1)c1ccc(C2CCN(C(=O)OC(C)(C)C)CC2)cc1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 5/20 0.44
NAMPT P43490 1/20 0.41
KDM4E B2RXH2 1/20 0.37
PKM P14618 1/20 0.37
NPC1L1 Q9UHC9 1/20 0.36
SYK P43405 1/20 0.36
GPR119 Q8TDV5 3/20 0.36
PIK3CD O00329 1/20 0.35
USP30 Q70CQ3 1/20 0.35
TP53 P04637 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
HPGDS O60760 1/20 0.35

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
SCHEMBL1389915 1.00 GPBAR1 (0.44) GPBAR1NAMPTKDM4EPKMNPC1L1
SCHEMBL1389917 1.00 GPBAR1 (0.44) GPBAR1NAMPTKDM4EPKMNPC1L1
SCHEMBL1389920 1.00 GPBAR1 (0.44) GPBAR1NAMPTKDM4EPKMNPC1L1
SCHEMBL368537 0.91 NAMPT (0.43) NAMPTKDM4EPKMNPC1L1SYK
SCHEMBL368536 0.91 NAMPT (0.43) NAMPTKDM4EPKMNPC1L1SYK
SCHEMBL369363 0.90 GPBAR1 (0.46) GPBAR1MEN1KMT2A
SCHEMBL369364 0.90 GPBAR1 (0.46) GPBAR1MEN1KMT2A
SCHEMBL368943 0.89 GPBAR1 (0.45) GPBAR1MEN1KMT2A
SCHEMBL368944 0.89 GPBAR1 (0.45) GPBAR1MEN1KMT2A
SCHEMBL368942 0.89 GPBAR1 (0.45) GPBAR1MEN1KMT2A

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
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
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 1/4885NAMPT 4092/4885KDM4E 4298/4885

“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.