SCHEMBL1389746

SCHEMBL1389746

Cc1cc(/C(C[C@H](c2ccccc2)c2ccccc2C)=N\O)ccn1

nearest known ligand 0.78

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 7/20 0.78
NR3C2 P08235 1/20 0.42
CTSA P10619 7/20 0.36
GAA P10253 1/20 0.35
MEN1 O00255 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
HPGD P15428 1/20 0.34
CYP2C19 P33261 1/20 0.34
KMT2A Q03164 1/20 0.34
CYP19A1 P11511 1/20 0.34
ACP3 P15309 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
SCHEMBL1389749 1.00 GPBAR1 (0.78) GPBAR1NR3C2CTSAGAAMEN1
SCHEMBL1389747 1.00 GPBAR1 (0.78) GPBAR1NR3C2CTSAGAAMEN1
SCHEMBL362360 1.00 GPBAR1 (0.78) GPBAR1NR3C2CTSAGAAMEN1
SCHEMBL10290998 0.94 GPBAR1 (0.77) GPBAR1NR3C2CTSAGAA
SCHEMBL1390179 0.93 GPBAR1 (0.76) GPBAR1NR3C2CTSAGAAMEN1
SCHEMBL1390175 0.93 GPBAR1 (0.76) GPBAR1NR3C2CTSAGAAMEN1
SCHEMBL1390178 0.93 GPBAR1 (0.76) GPBAR1NR3C2CTSAGAAMEN1
SCHEMBL1390180 0.93 GPBAR1 (0.76) GPBAR1NR3C2CTSAGAAMEN1
SCHEMBL10241033 0.92 GPBAR1 (0.74) GPBAR1NR3C2CTSAGAA
SCHEMBL1389615 0.92 GPBAR1 (0.74) GPBAR1NR3C2CTSAGAA

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 1/4885NR3C2 232/4885CTSA 3225/4885

“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.