SCHEMBL362884

SCHEMBL362884

CCOC(=O)C(C#N)C(c1ccc(Br)cc1)c1ccc(F)cc1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.37
GAA P10253 2/20 0.37
ALDH1A1 P00352 6/20 0.35
MAPT P10636 5/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
KMT2A Q03164 4/20 0.35
MEN1 O00255 3/20 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
HSD17B10 Q99714 1/20 0.35
BCL2 P10415 1/20 0.34
LMNA P02545 2/20 0.33
HPGD P15428 1/20 0.33
GFER P55789 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
NPSR1 Q6W5P4 2/20 0.33
POLB P06746 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
SCHEMBL365798 0.91 GAA (0.37) MAPK1GAAALDH1A1MAPTSMN1; SMN2
SCHEMBL363529 0.86 S1PR3 (0.39) MAPK1GAAALDH1A1MAPTSMN1; SMN2
SCHEMBL1390375 0.83 SMN1; SMN2 (0.42) MAPK1GAAALDH1A1MAPTSMN1; SMN2
SCHEMBL10363351 0.81 GAA (0.45) MAPK1GAAALDH1A1MAPTSMN1; SMN2
SCHEMBL370828 0.79 GAA (0.43) MAPK1GAAALDH1A1MAPTSMN1; SMN2
SCHEMBL10977335 0.78 SMN1; SMN2 (0.51) MAPK1GAAALDH1A1MAPTSMN1; SMN2
SCHEMBL3013426 0.77 S1PR3 (0.40) MAPK1GAAALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL1978550 0.77 GAA (0.42) MAPK1GAAALDH1A1MAPTSMN1; SMN2
SCHEMBL363227 0.76 SMN1; SMN2 (0.41) MAPK1GAAALDH1A1MAPTSMN1; SMN2
SCHEMBL370827 0.75 GAA (0.43) MAPK1GAAALDH1A1MAPTSMN1; SMN2

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 MAPK1 1135/4885GAA 2696/4885ALDH1A1 132/4885

“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.