SCHEMBL1395413

SCHEMBL1395413

CCOC(=O)C(C#N)C(c1ccc(C)cc1)c1cccc(Br)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.43
GAA P10253 2/20 0.43
BCL2 P10415 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
ALDH1A1 P00352 2/20 0.38
TP53 P04637 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C19 P33261 1/20 0.38
HSD17B10 Q99714 1/20 0.38
NPSR1 Q6W5P4 1/20 0.37
MMP8 P22894 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
ELANE P08246 1/20 0.35
MAPT P10636 1/20 0.35
AMPD2 Q01433 1/20 0.35
CTSA P10619 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
SCHEMBL370827 0.89 GAA (0.43) MAPK1GAABCL2SMN1; SMN2L3MBTL1
SCHEMBL370828 0.89 GAA (0.43) MAPK1GAABCL2SMN1; SMN2L3MBTL1
SCHEMBL362794 0.84 GAA (0.41) MAPK1GAABCL2SMN1; SMN2L3MBTL1
SCHEMBL490341 0.80 SMN1; SMN2 (0.53) MAPK1GAASMN1; SMN2L3MBTL1MEN1
SCHEMBL10977335 0.80 SMN1; SMN2 (0.51) MAPK1GAASMN1; SMN2L3MBTL1MEN1
SCHEMBL13214510 0.80 SLC6A3 (0.44) MAPK1GAABCL2SMN1; SMN2L3MBTL1
SCHEMBL1978550 0.79 GAA (0.42) MAPK1GAASMN1; SMN2L3MBTL1MEN1
SCHEMBL3013426 0.77 S1PR3 (0.40) MAPK1GAABCL2SMN1; SMN2L3MBTL1
SCHEMBL1390375 0.76 SMN1; SMN2 (0.42) MAPK1GAABCL2SMN1; SMN2L3MBTL1
SCHEMBL4660010 0.75 GAA (0.42) MAPK1GAASMN1; SMN2L3MBTL1MEN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8765730-B2 1-hydroxyimino-3-phenyl-propanes Hoffmann-La Roche Inc (US) 2014-07-01 US 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 2696/4885BCL2 2900/4885

“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.