SCHEMBL363227

SCHEMBL363227

CCOC(=O)C(C#N)C(c1ccc(Br)cc1)c1ccccc1C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
GAA P10253 3/20 0.39
MAPK1 P28482 2/20 0.39
KMT2A Q03164 5/20 0.36
MEN1 O00255 3/20 0.36
EPHX2 P34913 4/20 0.36
PPARG P37231 4/20 0.36
ALDH1A1 P00352 3/20 0.36
KDM4E B2RXH2 3/20 0.36
MAPT P10636 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
HSD17B10 Q99714 2/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36
LMNA P02545 1/20 0.34
HTT P42858 1/20 0.34
MDM2 Q00987 1/20 0.34
TP53 P04637 1/20 0.34
CYP1A2 P05177 1/20 0.34

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
SCHEMBL1390375 0.85 SMN1; SMN2 (0.42) SMN1; SMN2L3MBTL1GAAMAPK1KMT2A
SCHEMBL15949011 0.83 ACP3 (0.41) SMN1; SMN2GAAKMT2AMEN1PPARG
SCHEMBL4660045 0.81 SMN1; SMN2 (0.40) SMN1; SMN2L3MBTL1GAAMAPK1KMT2A
SCHEMBL370828 0.78 GAA (0.43) SMN1; SMN2L3MBTL1GAAMAPK1KMT2A
SCHEMBL29226191 0.77 KMT2A (0.52) SMN1; SMN2L3MBTL1GAAKMT2AMEN1
SCHEMBL365798 0.76 GAA (0.37) SMN1; SMN2L3MBTL1GAAMAPK1KMT2A
SCHEMBL362884 0.76 MAPK1 (0.37) SMN1; SMN2L3MBTL1GAAMAPK1KMT2A
SCHEMBL1978550 0.76 GAA (0.42) SMN1; SMN2L3MBTL1GAAMAPK1KMT2A
SCHEMBL490341 0.75 SMN1; SMN2 (0.53) SMN1; SMN2L3MBTL1GAAMAPK1KMT2A
SCHEMBL370827 0.74 GAA (0.43) SMN1; SMN2L3MBTL1GAAMAPK1KMT2A

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 SMN1; SMN2 2264/4885L3MBTL1 2596/4885GAA 2696/4885

“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.