SCHEMBL365798

SCHEMBL365798

CCOC(=O)C(C#N)C(c1ccc(Br)cc1)c1ccc(F)cc1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.37
MAPK1 P28482 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
DPP4 P27487 1/20 0.36
POLB P06746 2/20 0.36
MAPT P10636 4/20 0.35
RAB9A P51151 1/20 0.35
ALDH1A1 P00352 3/20 0.35
MEN1 O00255 1/20 0.35
TP53 P04637 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C19 P33261 1/20 0.35
KMT2A Q03164 1/20 0.35
HSD17B10 Q99714 1/20 0.35
BCL2 P10415 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
CES2 O00748 1/20 0.33
CES1 P23141 1/20 0.33

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
SCHEMBL362884 0.91 MAPK1 (0.37) GAAMAPK1SMN1; SMN2L3MBTL1POLB
SCHEMBL15949031 0.83 DPP4 (0.38) SMN1; SMN2DPP4ALDH1A1NPSR1CES2
SCHEMBL10363351 0.81 GAA (0.45) GAAMAPK1SMN1; SMN2L3MBTL1MAPT
SCHEMBL363529 0.80 S1PR3 (0.39) GAAMAPK1SMN1; SMN2L3MBTL1POLB
SCHEMBL3013426 0.80 S1PR3 (0.40) GAAMAPK1SMN1; SMN2L3MBTL1POLB
SCHEMBL370828 0.79 GAA (0.43) GAAMAPK1SMN1; SMN2L3MBTL1POLB
SCHEMBL1390375 0.79 SMN1; SMN2 (0.42) GAAMAPK1SMN1; SMN2L3MBTL1POLB
SCHEMBL10977335 0.78 SMN1; SMN2 (0.51) GAAMAPK1SMN1; SMN2L3MBTL1MAPT
SCHEMBL1978550 0.77 GAA (0.42) GAAMAPK1SMN1; SMN2L3MBTL1POLB
SCHEMBL363227 0.76 SMN1; SMN2 (0.41) GAAMAPK1SMN1; SMN2L3MBTL1MAPT

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 GAA 2696/4885MAPK1 1135/4885SMN1; SMN2 2264/4885

“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.