SCHEMBL363521

SCHEMBL363521

O/N=C(\CC(c1ccccc1)c1ccc(-c2cncnc2)cc1)c1ccncc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 3/20 0.64
ATM Q13315 1/20 0.40
EPHX2 P34913 1/20 0.36
ROCK1 Q13464 7/20 0.36
GSK3B P49841 5/20 0.36
CLK4 Q9HAZ1 5/20 0.36
ROCK2 O75116 5/20 0.36
RPS6KA5 O75582 4/20 0.36
AKT1 P31749 4/20 0.36
PRKCD Q05655 4/20 0.36
PRKG2 Q13237 4/20 0.36
PRKG1 Q13976 4/20 0.36
PKN2 Q16513 4/20 0.36
GSK3A P49840 4/20 0.36
NEK4 P51957 3/20 0.36
MAP4K4 O95819 3/20 0.36
CDK1 P06493 3/20 0.36
RPS6KB1 P23443 3/20 0.36
CDK2 P24941 3/20 0.36
MAPK1 P28482 3/20 0.36

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
SCHEMBL1390076 1.00 GPBAR1 (0.64) GPBAR1ATMEPHX2ROCK1GSK3B
SCHEMBL1390074 1.00 GPBAR1 (0.64) GPBAR1ATMEPHX2ROCK1GSK3B
SCHEMBL363055 0.88 GPBAR1 (0.61) GPBAR1ATMCYP17A1HDAC4GAA
SCHEMBL363379 0.88 GPBAR1 (0.61) GPBAR1ATMCYP17A1HDAC4GAA
SCHEMBL362335 0.88 GPBAR1 (0.61) GPBAR1ATMCYP17A1HDAC4GAA
SCHEMBL363952 0.86 GPBAR1 (0.76) GPBAR1EPHX2LMNASLC6A2SLC6A4
SCHEMBL368448 0.86 GPBAR1 (0.76) GPBAR1EPHX2LMNASLC6A2SLC6A4
SCHEMBL368449 0.86 GPBAR1 (0.76) GPBAR1EPHX2LMNASLC6A2SLC6A4
SCHEMBL363119 0.85 GPBAR1 (0.64) GPBAR1EPHX2ROCK1GSK3BCLK4
SCHEMBL369534 0.85 GPBAR1 (0.64) GPBAR1EPHX2ROCK1GSK3BCLK4

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 14 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
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-8765730-B2 1-hydroxyimino-3-phenyl-propanes Hoffmann-La Roche Inc (US) 2014-07-01 US 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
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
US-20120010190-A1 1-HYDROXYIMINO-3-PHENYL-PROPANES F. HOFFMANN-LA ROCHE AG (CH) 2012-01-12 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 1/4885ATM 4617/4885EPHX2 1909/4885

“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.