SCHEMBL3017649

SCHEMBL3017649

COC(=O)c1[nH]c(C(N)=O)cc1Cl

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.39
CYP1A2 P05177 1/20 0.39
GAA P10253 3/20 0.38
MAP2K1 Q02750 1/20 0.38
MAPK14 Q16539 2/20 0.37
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 2/20 0.37
MAPT P10636 2/20 0.37
HPGD P15428 2/20 0.37
HSD17B10 Q99714 2/20 0.37
USP2 O75604 1/20 0.37
ALOX15 P16050 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
NQO2 P16083 2/20 0.37
ABL1 P00519 1/20 0.37
CCNC P24863 2/20 0.36
CDK8 P49336 2/20 0.36
HASPIN Q8TF76 1/20 0.36
CDK19 Q9BWU1 1/20 0.36
RAF1 P04049 1/20 0.36

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
SCHEMBL3035325 0.84 CYP1A2 (0.40) MAPK1CYP1A2GAAMAPK14KDM4E
SCHEMBL3031984 0.84 CYP1A2 (0.40) MAPK1CYP1A2GAAMAPK14KDM4E
SCHEMBL3029318 0.84 NGFR (0.42) CYP1A2MAPK14KDM4EALDH1A1HPGD
SCHEMBL20568972 0.80 GAA (0.45) CYP1A2GAAMAPK14KDM4EALDH1A1
SCHEMBL3339408 0.78 MAPK14 (0.40) CYP1A2GAAMAPK14KDM4EALDH1A1
SCHEMBL3016672 0.78 MAP2K1 (0.42) MAPK1CYP1A2MAP2K1ALDH1A1ALOX15
SCHEMBL15100750 0.78 TSHR (0.49) CYP1A2GAAMAPK14KDM4EALDH1A1
SCHEMBL3033205 0.75 HPGD (0.43) KDM4EALDH1A1HPGDHSD17B10ALOX15
SCHEMBL3024598 0.75 SMYD3 (0.44) MAPK14HPGD
SCHEMBL21060908 0.73 ALOX15 (0.44) MAPK1GAAALDH1A1MAPTALOX15

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-8304419-B2 Chemical compounds GLAXOSMITHKLINE LLC (US) 2012-11-06 US disclosed
US-20100216746-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2010-08-26 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-20100216746-A1 CHEMICAL COMPOUNDS SAMHD1, POLRMT, NUDT1 MAPK1 2655/4885CYP1A2 301/4885GAA 177/4885

“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.