SCHEMBL2017082

SCHEMBL2017082

CC(=O)Oc1ccc2nc[nH]c2c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP12 P39900 1/20 0.63
KDM4E B2RXH2 3/20 0.51
RAB9A P51151 2/20 0.51
ALDH1A1 P00352 2/20 0.51
HPGD P15428 2/20 0.51
HTT P42858 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
NPC1 O15118 1/20 0.51
KMT2A Q03164 1/20 0.51
P2RY14 Q15391 4/20 0.49
HDAC6 Q9UBN7 1/20 0.49
PDE3B Q13370 1/20 0.48
PDE3A Q14432 1/20 0.48
POLB P06746 1/20 0.47
QPCT Q16769 2/20 0.47
GLA P06280 2/20 0.47
F2 P00734 1/20 0.47
GAA P10253 1/20 0.47
CYP3A4 P08684 2/20 0.46
P2RY6 Q15077 1/20 0.46

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
SCHEMBL4603949 0.89 MMP12 (0.60) MMP12KDM4ERAB9AALDH1A1HPGD
SCHEMBL1875326 0.87 MMP12 (0.46) MMP12KDM4ERAB9AALDH1A1HPGD
SCHEMBL4607354 0.81 MMP12 (0.55) MMP12RAB9ANPC1KMT2AP2RY14
SCHEMBL25475185 0.80 MMP12 (0.54) MMP12KDM4ERAB9AALDH1A1HPGD
SCHEMBL641597 0.80 SLC2A1 (0.62) SMN1; SMN2PDE3BPDE3A
SCHEMBL26331090 0.80 MMP12 (0.67) MMP12KDM4ERAB9AHTTNPC1
SCHEMBL12633856 0.79 MMP12 (0.56) MMP12KDM4ERAB9AALDH1A1HPGD
SCHEMBL25475143 0.78 MMP12 (0.51) MMP12KDM4ERAB9AALDH1A1HPGD
SCHEMBL21938629 0.78 PDE3B (0.53) MMP12RAB9ANPC1KMT2AP2RY14
SCHEMBL29424791 0.78 MMP12 (1.00) MMP12KDM4ERAB9AALDH1A1NPC1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011079087-A1 ENAC BLOCKERS GLAXO GROUP LIMITED (GB) 2011-06-30 WO disclosed
US-7939528-B2 Heterocycle compounds GLAXOSMITHKLINE LLC (US) 2011-05-10 US disclosed
US-7939528-B2 Heterocycle compounds GLAXOSMITHKLINE LLC (US) 2011-05-10 US disclosed
US-20090054431-A1 NOVEL HETEROCYCLE COMPOUNDS GLAXOSMITHKLINE LLC 2009-02-26 US disclosed
US-20090054431-A1 NOVEL HETEROCYCLE COMPOUNDS GLAXOSMITHKLINE LLC 2009-02-26 US disclosed
WO-2007047397-A2 PHENOL ETHERS AS MODULATORS OF THE OPIOID RECEPTORS SMITHKLINE BEECHAM CORPORATION (US) 2007-04-26 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-20090054431-A1 NOVEL HETEROCYCLE COMPOUNDS OPRK1, OPRL1, OPRD1 MMP12 2506/4885KDM4E 2700/4885RAB9A 1558/4885

“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.