SCHEMBL12633856

SCHEMBL12633856

CC(=O)c1ccc(Oc2ccc3nc[nH]c3c2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP12 P39900 1/20 0.56
RAB9A P51151 4/20 0.54
MAPT P10636 2/20 0.54
HPGD P15428 2/20 0.54
KMT2A Q03164 2/20 0.53
NPC1 O15118 2/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
KDM4E B2RXH2 3/20 0.53
ALDH1A1 P00352 3/20 0.53
POLB P06746 2/20 0.53
HDAC6 Q9UBN7 1/20 0.51
HTT P42858 2/20 0.50
SLC2A1 P11166 1/20 0.50
CTNNB1 P35222 1/20 0.47
WNT3A P56704 1/20 0.47
HSD11B1 P28845 1/20 0.46
ESRRA P11474 1/20 0.46
P2RY14 Q15391 1/20 0.45
SCN7A Q01118 1/20 0.45
KCNH2 Q12809 1/20 0.45

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
SCHEMBL1873286 0.89 RAB9A (0.54) MMP12RAB9AMAPTHPGDKMT2A
SCHEMBL3776194 0.83 HDAC6 (0.66) RAB9AMAPTHPGDKMT2ANPC1
SCHEMBL2017082 0.79 MMP12 (0.63) MMP12RAB9AMAPTHPGDKMT2A
SCHEMBL1799380 0.79 MMP12 (0.62) MMP12RAB9AMAPTHPGDNPC1
SCHEMBL29770425 0.79 MMP12 (0.62) MMP12RAB9AMAPTHPGDNPC1
SCHEMBL23636200 0.77 MMP12 (0.60) MMP12MAPTKDM4EPOLBP2RY14
SCHEMBL30467970 0.77 MMP12 (0.60) MMP12MAPTSMN1; SMN2KDM4EPOLB
SCHEMBL23636201 0.77 MMP12 (0.60) MMP12MAPTSMN1; SMN2KDM4EPOLB
SCHEMBL7013293 0.77 PRKCI (0.66) MMP12RAB9AMAPTKMT2ANPC1
SCHEMBL30468011 0.77 MMP12 (0.60) MMP12MAPTKDM4EPOLBP2RY14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 2506/4885RAB9A 1558/4885MAPT 4563/4885

“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.