SCHEMBL4236344

SCHEMBL4236344

COn1c(C)c(C)c2ccccc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.47
KDM4E B2RXH2 5/20 0.42
ALDH1A1 P00352 6/20 0.41
MAPT P10636 4/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
THRB P10828 1/20 0.39
GRIK2 Q13002 1/20 0.38
GPR3 P46089 1/20 0.38
MEN1 O00255 1/20 0.37
GAA P10253 1/20 0.37
KMT2A Q03164 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
BACE1 P56817 1/20 0.37
LMNA P02545 1/20 0.36
ALOX15 P16050 1/20 0.36
HSD17B10 Q99714 1/20 0.36
HDAC3 O15379 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC10 Q969S8 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
SCHEMBL4236340 0.82 KDM4E (0.41) SMN1; SMN2KDM4EALDH1A1MAPTL3MBTL1
SCHEMBL1408375 0.80 SMN1; SMN2 (0.56) SMN1; SMN2KDM4EALDH1A1MAPTL3MBTL1
SCHEMBL7255701 0.76 MAPK1 (0.51) SMN1; SMN2KDM4EALDH1A1MAPTL3MBTL1
SCHEMBL483003 0.71 GPR3 (0.61) KDM4EALDH1A1MAPTL3MBTL1GPR3
SCHEMBL31132408 0.71 GPR3 (0.61) KDM4EALDH1A1MAPTL3MBTL1GPR3
SCHEMBL11105649 0.71 ABCB1 (0.53) KDM4EALDH1A1MAPTTHRBGAA
SCHEMBL9987688 0.71 TSHR (0.42) SMN1; SMN2KDM4EALDH1A1MAPTL3MBTL1
SCHEMBL3220620 0.70 KDM4E (0.44) SMN1; SMN2KDM4EALDH1A1MAPTGPR3
SCHEMBL3972584 0.70 KDM4E (0.44) SMN1; SMN2KDM4EALDH1A1MAPTGPR3
SCHEMBL21653639 0.70 KDM4E (0.44) SMN1; SMN2KDM4EALDH1A1MAPTGPR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8877742-B2 Compounds GLAXOSMITHKLINE INTELLECTUAL PROPERTY LIMITED (GB) 2014-11-04 US disclosed
US-20140155375-A1 NOVEL COMPOUNDS GlaxoSmithKline Interllectual Property Limited (GB) 2014-06-05 US disclosed
EP-2717694-A1 NOVEL COMPOUNDS GlaxoSmithKline Intellectual Property Limited (GB) 2014-04-16 EP disclosed
WO-2012170752-A1 NOVEL COMPOUNDS GLAXO WELLCOME MANUFACTURING PTE LTD (SG) 2012-12-13 WO disclosed
US-7595317-B2 Barbituric acid derivatives as inhibitors of TNF-α converting enzyme (TACE) and/or matrix metalloproteinases BRISTOL-MYERS SQUIBB COMPANY (US) 2009-09-29 US disclosed
US-7294624-B2 Osteoporosis; antiarthritic agents BRISTOL MYERS SQUIBB COMPANY (US) 2007-11-13 US disclosed
US-20070167451-A1 BARBITURIC ACID DERIVATIVES AS INHIBITORS OF TNF-alpha CONVERTING ENZYME (TACE) AND/OR MATRIX METALLOPROTEINASES DUAN JINGWU 2007-07-19 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 (2 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-20070167451-A1 BARBITURIC ACID DERIVATIVES AS INHIBITORS OF TNF-alpha CONVERTING ENZYME (TACE) AND/OR MATRIX METALLOPROTEINASES TNF, MMP9, MMP3 SMN1; SMN2 3011/4885KDM4E 2397/4885ALDH1A1 839/4885
US-20140155375-A1 NOVEL COMPOUNDS CYBB, NOX1, NOX4 SMN1; SMN2 2126/4885KDM4E 3581/4885ALDH1A1 730/4885

“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.