SCHEMBL3033601

SCHEMBL3033601

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

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 10/20 0.40
CREBBP Q92793 1/20 0.37
ALDH1A1 P00352 2/20 0.35
MAP2K1 Q02750 1/20 0.35
PDE1A P54750 1/20 0.34
PDE1B Q01064 1/20 0.34
PDE3B Q13370 1/20 0.34
PDE1C Q14123 1/20 0.34
PDE3A Q14432 1/20 0.34
TSHR P16473 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
MAP4K1 Q92918 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
SERPINH1 P50454 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 0.81 NR4A2 (0.43) NR4A2CREBBPMAP2K1
SCHEMBL3028817 0.81 NR4A2 (0.43) NR4A2CREBBPMAP2K1SMN1; SMN2SERPINH1
SCHEMBL3033301 0.80 NR4A2 (0.42) NR4A2CREBBPALDH1A1MAP2K1TSHR
SCHEMBL3027903 0.79 NR4A2 (0.41) NR4A2CREBBPALDH1A1MAP2K1PDE3B
SCHEMBL21060930 0.77 LMNA (0.44) NR4A2CREBBPALDH1A1MAP2K1RAB9A
SCHEMBL3554714 0.75 NR4A2 (0.42) NR4A2CREBBPALDH1A1TSHRSMN1; SMN2
SCHEMBL21060862 0.75 XDH (0.44) NR4A2CREBBPALDH1A1TSHR
SCHEMBL3035913 0.75 LMNA (0.44) NR4A2CREBBPMAP2K1TSHR
SCHEMBL16236707 0.74 TDP1 (0.39) NR4A2CREBBPSMN1; SMN2
SCHEMBL3032676 0.73 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 2208/4885ALDH1A1 348/4885

“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.