SCHEMBL3033301

SCHEMBL3033301

COC(=O)c1[nH]cc(C(N)=O)c1Cl

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 10/20 0.42
CREBBP Q92793 1/20 0.39
CCNC P24863 1/20 0.37
CDK8 P49336 1/20 0.37
ABL1 P00519 1/20 0.37
MAP2K1 Q02750 1/20 0.36
NQO2 P16083 1/20 0.36
ALDH1A1 P00352 1/20 0.35
ATM Q13315 1/20 0.35
GAA P10253 1/20 0.35
SIRT2 Q8IXJ6 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TSHR P16473 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
SCHEMBL3028817 0.84 NR4A2 (0.43) NR4A2CREBBPABL1MAP2K1SMN1; SMN2
SCHEMBL3030002 0.84 NR4A2 (0.43) NR4A2CREBBPMAP2K1
SCHEMBL3027903 0.81 NR4A2 (0.41) NR4A2CREBBPMAP2K1ALDH1A1SMN1; SMN2
SCHEMBL21060930 0.80 LMNA (0.44) NR4A2CREBBPMAP2K1ALDH1A1
SCHEMBL3033601 0.80 NR4A2 (0.40) NR4A2CREBBPMAP2K1ALDH1A1SMN1; SMN2
SCHEMBL3554714 0.78 NR4A2 (0.42) NR4A2CREBBPALDH1A1GAASMN1; SMN2
SCHEMBL21060862 0.78 XDH (0.44) NR4A2CREBBPALDH1A1GAATSHR
SCHEMBL3035913 0.78 LMNA (0.44) NR4A2CREBBPMAP2K1GAATSHR
SCHEMBL16236707 0.77 TDP1 (0.39) NR4A2CREBBPGAASMN1; SMN2
SCHEMBL3032676 0.75 PYGL (0.42) NR4A2CREBBPALDH1A1

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 4 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
EP-2166856-A1 CHEMICAL COMPOUNDS GlaxoSmithKline LLC (US) 2010-03-31 EP disclosed
WO-2008154271-A1 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2008-12-18 WO 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 NR4A2 2805/4885CREBBP 2208/4885CCNC 1032/4885

“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.