SCHEMBL1390118

SCHEMBL1390118

Cc1ccccc1[C@H](CC(Cc1ccccn1)=NO)c1ccc(Br)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 5/20 0.50
CHRM2 P08172 2/20 0.39
CHRM1 P11229 2/20 0.39
DRD1 P21728 2/20 0.39
SLC6A2 P23975 2/20 0.39
SLC6A4 P31645 2/20 0.39
HRH1 P35367 2/20 0.39
SLC6A3 Q01959 2/20 0.39
KCNH2 Q12809 2/20 0.39
HRH3 Q9Y5N1 2/20 0.39
CYP2D6 P10635 2/20 0.39
LMNA P02545 2/20 0.39
NFKB1 P19838 1/20 0.39
THPO P40225 1/20 0.39
HIF1A Q16665 1/20 0.39
HTR2C P28335 1/20 0.39
SCN1A P35498 1/20 0.39
SCN2A Q99250 1/20 0.39
SCN3A Q9NY46 1/20 0.39
ADRA2B P18089 1/20 0.39

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
SCHEMBL363376 1.00 GPBAR1 (0.50) GPBAR1CHRM2CHRM1DRD1SLC6A2
SCHEMBL1390116 1.00 GPBAR1 (0.50) GPBAR1CHRM2CHRM1DRD1SLC6A2
SCHEMBL364485 0.87 GPBAR1 (0.39) GPBAR1CHRM2CHRM1DRD1SLC6A2
SCHEMBL1389806 0.87 GPBAR1 (0.39) GPBAR1CHRM2CHRM1DRD1SLC6A2
SCHEMBL1389805 0.87 GPBAR1 (0.39) GPBAR1CHRM2CHRM1DRD1SLC6A2
SCHEMBL1390382 0.85 GPBAR1 (0.46) GPBAR1CHRM2CHRM1DRD1SLC6A2
SCHEMBL1390383 0.85 GPBAR1 (0.46) GPBAR1CHRM2CHRM1DRD1SLC6A2
SCHEMBL362261 0.84 GPBAR1 (0.50) GPBAR1HTR2AMAPTGAAKMT2A
SCHEMBL362259 0.84 GPBAR1 (0.50) GPBAR1HTR2AMAPTGAAKMT2A
SCHEMBL363993 0.84 GPBAR1 (0.50) GPBAR1HTR2AMAPTGAAKMT2A

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 1/4885CHRM2 956/4885CHRM1 493/4885

“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.