SCHEMBL1389853

SCHEMBL1389853

Cc1cc(C(CC(c2ccc(N(C)CCO)cc2)c2ccccc2C)=NO)ccn1

nearest known ligand 0.66

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 7/20 0.66
L3MBTL1 Q9Y468 1/20 0.40
NR3C2 P08235 1/20 0.33
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
PKM P14618 1/20 0.32
HTT P42858 1/20 0.32
MCL1 Q07820 1/20 0.32
KDM4A O75164 1/20 0.31
KDM4C Q9H3R0 1/20 0.31
CTSA P10619 2/20 0.30

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
SCHEMBL1389846 1.00 GPBAR1 (0.66) GPBAR1L3MBTL1NR3C2GAAMAPT
SCHEMBL1389851 1.00 GPBAR1 (0.66) GPBAR1L3MBTL1NR3C2GAAMAPT
SCHEMBL1389855 1.00 GPBAR1 (0.66) GPBAR1L3MBTL1NR3C2GAAMAPT
SCHEMBL1389971 0.90 GPBAR1 (0.63) GPBAR1L3MBTL1NR3C2CTSA
SCHEMBL1389972 0.90 GPBAR1 (0.63) GPBAR1L3MBTL1NR3C2CTSA
SCHEMBL1389969 0.90 GPBAR1 (0.63) GPBAR1L3MBTL1NR3C2CTSA
SCHEMBL1389970 0.90 GPBAR1 (0.63) GPBAR1L3MBTL1NR3C2CTSA
SCHEMBL15949067 0.87 GPBAR1 (0.53) GPBAR1L3MBTL1NR3C2GAAMAPT
SCHEMBL15949065 0.87 GPBAR1 (0.53) GPBAR1L3MBTL1NR3C2GAAMAPT
SCHEMBL1389725 0.86 GPBAR1 (0.71) GPBAR1NR3C2CTSA

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 1/4885L3MBTL1 2596/4885NR3C2 232/4885

“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.