SCHEMBL368909

SCHEMBL368909

Cc1ccccc1C(CC(=NO)c1ccc(=O)n(CC(N)=O)c1)c1ccc(Br)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 6/20 0.58
CTSK P43235 1/20 0.34
MAPT P10636 3/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
SOS1 Q07889 1/20 0.33
ATM Q13315 1/20 0.33
EGFR P00533 1/20 0.33
MGAM O43451 1/20 0.32
GAA P10253 1/20 0.32
SI P14410 1/20 0.32
MGAM2 Q2M2H8 1/20 0.32
ITGB3 P05106 1/20 0.32
ITGAV P06756 1/20 0.32
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
HPGD P15428 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
SCHEMBL368908 1.00 GPBAR1 (0.58) GPBAR1CTSKMAPTKDM4EALDH1A1
SCHEMBL369090 0.89 GPBAR1 (0.62) GPBAR1CTSKMAPTKDM4EALDH1A1
SCHEMBL370700 0.89 GPBAR1 (0.62) GPBAR1CTSKMAPTKDM4EALDH1A1
SCHEMBL368424 0.89 GPBAR1 (0.48) GPBAR1MAPTKDM4EALDH1A1MEN1
SCHEMBL369091 0.89 GPBAR1 (0.62) GPBAR1CTSKMAPTKDM4EALDH1A1
SCHEMBL369513 0.87 GPBAR1 (0.61) GPBAR1MAPTKDM4EALDH1A1EGFR
SCHEMBL369514 0.87 GPBAR1 (0.61) GPBAR1MAPTKDM4EALDH1A1EGFR
SCHEMBL369590 0.85 GPBAR1 (0.59) GPBAR1MAPTKDM4EALDH1A1EGFR
SCHEMBL369591 0.85 GPBAR1 (0.59) GPBAR1MAPTKDM4EALDH1A1EGFR
SCHEMBL370089 0.84 GPBAR1 (0.67) GPBAR1CTSKMAPTKDM4EALDH1A1

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 8 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-A1 1-HYDROXYIMINO-3-PHENYL-PROPANES F.HOFFMANN-LA ROCHE AG (CH) 2013-05-22 EP claimed
WO-2012007365-A1 1-HYDROXYIMINO-3-PHENYL-PROPANES F. HOFFMANN-LA ROCHE AG (CH) 2012-01-19 WO 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
EP-2593426-A1 1-HYDROXYIMINO-3-PHENYL-PROPANES F.HOFFMANN-LA ROCHE AG (CH) 2013-05-22 EP disclosed
WO-2012007365-A1 1-HYDROXYIMINO-3-PHENYL-PROPANES F. HOFFMANN-LA ROCHE AG (CH) 2012-01-19 WO 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 1/4885CTSK 4507/4885MAPT 4149/4885

“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.