SCHEMBL3028817

SCHEMBL3028817

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

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 11/20 0.43
CREBBP Q92793 1/20 0.40
MAP2K1 Q02750 1/20 0.37
PBRM1 Q86U86 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
SERPINH1 P50454 1/20 0.35
ABL1 P00519 1/20 0.34
BRPF1 P55201 1/20 0.33
AXL P30530 1/20 0.33

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
SCHEMBL3030002 0.86 NR4A2 (0.43) NR4A2CREBBPMAP2K1AXL
SCHEMBL3033301 0.84 NR4A2 (0.42) NR4A2CREBBPMAP2K1SMN1; SMN2ABL1
SCHEMBL3027903 0.83 NR4A2 (0.41) NR4A2CREBBPMAP2K1SMN1; SMN2
SCHEMBL3033601 0.81 NR4A2 (0.40) NR4A2CREBBPMAP2K1SMN1; SMN2SERPINH1
SCHEMBL21060930 0.81 LMNA (0.44) NR4A2CREBBPMAP2K1NPSR1
SCHEMBL11201376 0.80 NPSR1 (0.43) NR4A2CREBBPMAP2K1NPSR1BRPF1
SCHEMBL21060862 0.79 XDH (0.44) NR4A2CREBBPNPSR1
SCHEMBL3017199 0.79 PBRM1 (0.39) PBRM1BRPF1
SCHEMBL3554714 0.79 NR4A2 (0.42) NR4A2CREBBPSMN1; SMN2NPSR1
SCHEMBL3035913 0.79 LMNA (0.44) NR4A2CREBBPMAP2K1

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 NR4A2 2805/4885CREBBP 2208/4885MAP2K1 4263/4885

“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.