SCHEMBL12662402

SCHEMBL12662402

O=C(Nc1ccccn1)c1cc(N2CCOCC2)cc2[nH]c(-c3cc(F)ccc3C(F)(F)F)nc12

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PTGES O14684 1/20 0.42
▸ WDR5 P61964 4/20 0.40
▸ VCP P55072 1/20 0.40
▸ TSHR P16473 1/20 0.39
▸ SCN5A Q14524 1/20 0.39
▸ SCN9A Q15858 1/20 0.39
▸ GRIA1 P42261 1/20 0.39
▸ MAPK10 P53779 3/20 0.39
▸ MAPK9 P45984 2/20 0.39
▸ PRKCA P17252 2/20 0.38
▸ PRKCQ Q04759 2/20 0.38
▸ GSK3B P49841 1/20 0.38
▸ FLT3 P36888 1/20 0.38
▸ PIK3R1 P27986 1/20 0.38
▸ PIK3CA P42336 1/20 0.38
▸ MTOR P42345 1/20 0.38
▸ CBFB Q13951 1/20 0.38
▸ ULK1 O75385 1/20 0.37

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
SCHEMBL12662476 0.94 PTGES (0.42) PTGESWDR5VCPTSHRSCN5A
SCHEMBL12662375 0.92 PTGES (0.46) PTGESTSHRSCN5ASCN9AGRIA1
SCHEMBL12662404 0.90 FAAH (0.40) PTGESWDR5PRKCAPRKCQGSK3B
SCHEMBL12662578 0.88 VCP (0.40) WDR5VCPTSHRGRIA1MAPK10
SCHEMBL12662396 0.88 PTGES (0.45) PTGESTSHRSCN5ASCN9AGRIA1
SCHEMBL12662049 0.87 PRKCA (0.45) PTGESSCN5ASCN9AGRIA1MAPK10
SCHEMBL12662553 0.87 VCP (0.40) WDR5VCPTSHRGRIA1MAPK10
SCHEMBL12662403 0.85 PTGES (0.45) PTGESGSK3BFLT3PIK3CAMTOR
SCHEMBL12662400 0.85 LMNA (0.45) PTGESWDR5FLT3
SCHEMBL12662478 0.84 FAAH (0.40) PTGESWDR5FLT3PIK3R1PIK3CA

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
EP-2315763-B1 BENZIMIDAZOLES AND RELATED ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC (US) 2016-06-01 — — EP disclosed
US-20150057272-A1 BENZIMIDAZOLES AND RELATED ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC (US) 2015-02-26 — — US disclosed
US-20150057272-A1 BENZIMIDAZOLES AND RELATED ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC (US) 2015-02-26 — — US disclosed
US-20110124637-A1 BENZIMIDAZOLES AND RELATED ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2011-05-26 — — US disclosed
US-20110124637-A1 BENZIMIDAZOLES AND RELATED ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2011-05-26 — — US disclosed
WO-2010003048-A1 BENZIMIDAZOLES AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2010-01-07 — — 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 (2 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-20110124637-A1 BENZIMIDAZOLES AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRT3, SIRT1, SIRT2 PTGES 1022/4885WDR5 556/4885VCP 3010/4885
US-20150057272-A1 BENZIMIDAZOLES AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRT3, SIRT1, SIRT2 PTGES 1594/4885WDR5 644/4885VCP 3022/4885

“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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