SCHEMBL364286

SCHEMBL364286

Cc1cccnc1C(CC(=O)c1ccncc1)c1ccc(N(C)C)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 1/20 0.52
ALDH1A1 P00352 7/20 0.39
KDM4E B2RXH2 4/20 0.39
MAPT P10636 4/20 0.39
GFER P55789 1/20 0.39
GAA P10253 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
TEAD4 Q15561 1/20 0.37
PLOD2 O00469 1/20 0.37
PLOD3 O60568 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
HPGD P15428 1/20 0.37
CYP2C19 P33261 1/20 0.37
PLOD1 Q02809 1/20 0.37
HIF1A Q16665 1/20 0.37
KMT2A Q03164 1/20 0.36
FFAR1 O14842 1/20 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
SCHEMBL369718 0.85 GPBAR1 (0.73) GPBAR1ALDH1A1KDM4EMAPTGFER
SCHEMBL369717 0.85 GPBAR1 (0.73) GPBAR1ALDH1A1KDM4EMAPTGFER
SCHEMBL361606 0.85 GPBAR1 (0.73) GPBAR1ALDH1A1KDM4EMAPTGFER
SCHEMBL361906 0.84 GPBAR1 (0.57) GPBAR1ALDH1A1KDM4EMAPTGAA
SCHEMBL369701 0.83 GPBAR1 (0.68) GPBAR1ALDH1A1KDM4EMAPTGFER
SCHEMBL1390078 0.82 GPBAR1 (0.56) GPBAR1ALDH1A1KDM4EMAPTGFER
SCHEMBL363621 0.81 GPBAR1 (0.54) GPBAR1ALDH1A1KDM4EL3MBTL1PLOD2
SCHEMBL368623 0.80 GPBAR1 (0.55) GPBAR1ALDH1A1KDM4EMAPTGFER
SCHEMBL369477 0.79 GPBAR1 (0.53) GPBAR1ALDH1A1KDM4EMAPTGFER
SCHEMBL1390146 0.78 GPBAR1 (0.56) GPBAR1ALDH1A1KDM4EMAPTGAA

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 6 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
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 1/4885ALDH1A1 132/4885KDM4E 4298/4885

“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.