SCHEMBL363810

SCHEMBL363810

COC(=O)c1ccc(C(CC(=O)c2ccnc(C)c2)c2ccc(F)cc2F)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 3/20 0.52
MAPT P10636 3/20 0.39
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
LMNA P02545 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
DPP4 P27487 2/20 0.38
TDP1 Q9NUW8 2/20 0.36
KDM4E B2RXH2 1/20 0.36
KDM6B O15054 1/20 0.36
KDM5C P41229 1/20 0.36
KDM4C Q9H3R0 1/20 0.36
KDM2A Q9Y2K7 1/20 0.36
KDM3A Q9Y4C1 1/20 0.36
KMT2A Q03164 4/20 0.36
MEN1 O00255 3/20 0.36
KDM5A P29375 1/20 0.36
KDM5B Q9UGL1 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
GAA P10253 1/20 0.35

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
SCHEMBL364319 0.90 GPBAR1 (0.55) GPBAR1KDM4CKDM5AKDM5BGAA
SCHEMBL363707 0.89 GPBAR1 (0.67) GPBAR1MAPTNPC1RAB9ALMNA
SCHEMBL1390565 0.89 GPBAR1 (0.67) GPBAR1MAPTNPC1RAB9ALMNA
SCHEMBL362478 0.87 GPBAR1 (0.54) GPBAR1KMT2AGAAMAPK1
SCHEMBL15949078 0.87 GPBAR1 (0.54) GPBAR1KMT2AGAAMAPK1
SCHEMBL363662 0.85 GPBAR1 (0.53) GPBAR1KDM4CKDM5AEPHX2
SCHEMBL363755 0.84 GPBAR1 (0.53) GPBAR1NPC1RAB9ADPP4MAPK14
SCHEMBL364811 0.82 GPBAR1 (0.59) GPBAR1MAPTNPC1RAB9ALMNA
SCHEMBL365165 0.82 GPBAR1 (0.45) GPBAR1MAPTNPC1RAB9ALMNA
SCHEMBL364671 0.80 GPBAR1 (0.64) GPBAR1MAPTNPC1RAB9ALMNA

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 5 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 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 1/4885MAPT 4149/4885NPC1 1074/4885

“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.