SCHEMBL1389946

SCHEMBL1389946

Cc1ccccc1C(CC(=NO)c1ccncc1)c1ccc(N(C)C)cc1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 6/20 0.80
ALDH1A1 P00352 6/20 0.39
GFER P55789 2/20 0.39
HPGD P15428 1/20 0.39
SLC6A3 Q01959 2/20 0.38
MAPT P10636 5/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
LMNA P02545 1/20 0.37
RAB9A P51151 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.36
GAA P10253 1/20 0.36
KDM4E B2RXH2 3/20 0.36
CNR2 P34972 1/20 0.35
KMT2A Q03164 2/20 0.35
CHRM5 P08912 1/20 0.34
CHKA P35790 1/20 0.34
MPO P05164 1/20 0.34
MEN1 O00255 1/20 0.33
USP2 O75604 1/20 0.33
TDP1 Q9NUW8 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
SCHEMBL1389941 1.00 GPBAR1 (0.80) GPBAR1ALDH1A1GFERHPGDSLC6A3
SCHEMBL1389944 1.00 GPBAR1 (0.80) GPBAR1ALDH1A1GFERHPGDSLC6A3
SCHEMBL364630 0.89 GPBAR1 (1.00) GPBAR1ALDH1A1GFERHPGDSLC6A3
SCHEMBL364631 0.89 GPBAR1 (1.00) GPBAR1ALDH1A1GFERHPGDSLC6A3
SCHEMBL10240827 0.89 GPBAR1 (1.00) GPBAR1ALDH1A1GFERHPGDSLC6A3
SCHEMBL364632 0.89 GPBAR1 (1.00) GPBAR1ALDH1A1GFERHPGDSLC6A3
SCHEMBL10240825 0.89 GPBAR1 (1.00) GPBAR1ALDH1A1GFERHPGDSLC6A3
SCHEMBL10240902 0.89 GPBAR1 (0.63) GPBAR1ALDH1A1GFERMAPTRAB9A
SCHEMBL363744 0.89 GPBAR1 (0.63) GPBAR1ALDH1A1GFERMAPTRAB9A
SCHEMBL1389733 0.89 GPBAR1 (0.63) GPBAR1ALDH1A1GFERMAPTRAB9A

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 1/4885ALDH1A1 132/4885GFER 1177/4885

“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.