SCHEMBL12633973

SCHEMBL12633973

CC(=O)NCCNCc1ccc(Oc2ccc3nc[nH]c3c2)cc1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ QPCT Q16769 4/20 0.47
▸ POLB P06746 1/20 0.46
▸ MMP12 P39900 1/20 0.44
▸ P2RY14 Q15391 3/20 0.43
▸ EPHX1 P07099 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ PDCD1 Q15116 1/20 0.42
▸ CD274 Q9NZQ7 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ P2RX3 P56373 1/20 0.41
▸ EGFR P00533 2/20 0.40
▸ FLT1 P17948 2/20 0.40

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
SCHEMBL12633967 0.82 MMP12 (0.51) QPCTPOLBMMP12L3MBTL1NPC1
SCHEMBL12633953 0.81 HTT (0.49) QPCTPOLBMMP12P2RY14L3MBTL1
SCHEMBL12633983 0.81 MMP12 (0.47) QPCTPOLBMMP12P2RY14P2RX3
SCHEMBL12633978 0.80 QPCT (0.53) QPCTPOLBMMP12P2RY14HTT
SCHEMBL12633971 0.80 MMP12 (0.49) QPCTPOLBMMP12NPC1RAB9A
SCHEMBL12633965 0.80 MMP12 (0.46) QPCTPOLBMMP12P2RY14HTT
SCHEMBL12633979 0.80 QPCT (0.48) QPCTMMP12P2RY14L3MBTL1
SCHEMBL12634006 0.79 OPRM1 (0.54) QPCTKMT2A
SCHEMBL12633986 0.78 MMP12 (0.44) QPCTPOLBMMP12P2RY14HTT
SCHEMBL12634027 0.78 MMP12 (0.48) QPCTPOLBMMP12P2RY14P2RX3

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-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

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 QPCT 1336/4885POLB 3836/4885MMP12 2506/4885

“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.

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