SCHEMBL1390259

SCHEMBL1390259

CC(=O)N1CC(c2ccc(C(C/C(=N/O)c3ccnc(C)c3)c3ccccc3C)cc2)C1

nearest known ligand 0.66

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 7/20 0.66
PROKR1 Q8TCW9 8/20 0.41
MEN1 O00255 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
HPGD P15428 1/20 0.35
CYP2C19 P33261 1/20 0.35
KMT2A Q03164 1/20 0.35
NR3C2 P08235 1/20 0.34
WNT3A P56704 1/20 0.34
PRCP P42785 1/20 0.34
USP30 Q70CQ3 1/20 0.33

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
SCHEMBL1390257 1.00 GPBAR1 (0.66) GPBAR1PROKR1MEN1CYP1A2CYP3A4
SCHEMBL1390260 1.00 GPBAR1 (0.66) GPBAR1PROKR1MEN1CYP1A2CYP3A4
SCHEMBL1390261 1.00 GPBAR1 (0.66) GPBAR1PROKR1MEN1CYP1A2CYP3A4
SCHEMBL1390444 0.94 GPBAR1 (0.67) GPBAR1PROKR1MEN1CYP1A2CYP3A4
SCHEMBL363501 0.94 GPBAR1 (0.67) GPBAR1PROKR1MEN1CYP1A2CYP3A4
SCHEMBL1390472 0.89 GPBAR1 (0.51) GPBAR1PROKR1MEN1CYP1A2CYP3A4
SCHEMBL1390471 0.89 GPBAR1 (0.51) GPBAR1PROKR1MEN1CYP1A2CYP3A4
SCHEMBL1389825 0.89 GPBAR1 (0.61) GPBAR1PROKR1WNT3AUSP30
SCHEMBL1389830 0.89 GPBAR1 (0.61) GPBAR1PROKR1WNT3AUSP30
SCHEMBL1389829 0.89 GPBAR1 (0.61) GPBAR1PROKR1WNT3AUSP30

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 1/4885PROKR1 242/4885MEN1 1315/4885

“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.