SCHEMBL369989

SCHEMBL369989

Cc1ccccc1C(CC(=NO)c1cc(Cl)nc(Cl)c1)c1ccc(Br)cc1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 6/20 0.57
CTSA P10619 4/20 0.34
PTGFR P43088 3/20 0.34
MGAM O43451 1/20 0.33
GAA P10253 1/20 0.33
SI P14410 1/20 0.33
MGAM2 Q2M2H8 1/20 0.33
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
KMT2A Q03164 1/20 0.32
HTR2A P28223 1/20 0.31

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
SCHEMBL363294 1.00 GPBAR1 (0.57) GPBAR1CTSAPTGFRMGAMGAA
SCHEMBL1389405 1.00 GPBAR1 (0.57) GPBAR1CTSAPTGFRMGAMGAA
SCHEMBL10241034 0.88 GPBAR1 (0.61) GPBAR1CTSAPTGFRMGAMGAA
SCHEMBL361804 0.88 GPBAR1 (0.61) GPBAR1CTSAPTGFRMGAMGAA
SCHEMBL1389706 0.88 GPBAR1 (0.61) GPBAR1CTSAPTGFRMGAMGAA
SCHEMBL365184 0.87 GPBAR1 (0.46) GPBAR1KMT2AHTR2A
SCHEMBL1389631 0.87 GPBAR1 (0.46) GPBAR1KMT2AHTR2A
SCHEMBL1389633 0.87 GPBAR1 (0.46) GPBAR1KMT2AHTR2A
SCHEMBL363133 0.85 GPBAR1 (0.71) GPBAR1CTSA
SCHEMBL1389923 0.85 GPBAR1 (0.71) GPBAR1CTSA

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 1/4885CTSA 3225/4885PTGFR 182/4885

“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.