SCHEMBL3024207

SCHEMBL3024207

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

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.41
PIM3 Q86V86 1/20 0.41
ALDH1A1 P00352 4/20 0.37
ERN1 O75460 7/20 0.36
NR4A2 P43354 4/20 0.36
MAPT P10636 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C19 P33261 1/20 0.34
KDM4E B2RXH2 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
KMT2A Q03164 1/20 0.34
HCRTR1 O43613 1/20 0.33
HCRTR2 O43614 1/20 0.33
HTT P42858 1/20 0.33
TDP1 Q9NUW8 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
SCHEMBL11199867 0.81 PIM1 (0.42) PIM1PIM3ALDH1A1ERN1NR4A2
SCHEMBL21060862 0.78 XDH (0.44) ALDH1A1NR4A2KDM4EHTTTDP1
SCHEMBL3023164 0.78 ERN1 (0.33) ERN1KMT2A
SCHEMBL3554714 0.78 NR4A2 (0.42) ALDH1A1NR4A2KDM4EHTTTDP1
SCHEMBL16236707 0.77 TDP1 (0.39) NR4A2KDM4EHTTTDP1
SCHEMBL16116224 0.75 NR4A2 (0.37) ALDH1A1NR4A2KDM4EHTTTDP1
SCHEMBL3030002 0.74 NR4A2 (0.43) NR4A2
SCHEMBL3028817 0.74 NR4A2 (0.43) NR4A2
SCHEMBL16236516 0.72 NR4A2 (0.36) ALDH1A1NR4A2KDM4EHTTTDP1
SCHEMBL3033301 0.72 NR4A2 (0.42) ALDH1A1NR4A2

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 PIM1 967/4885PIM3 1594/4885ALDH1A1 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.