SCHEMBL12662404

SCHEMBL12662404

O=C(Nc1cccnn1)c1cc(N2CCOCC2)cc2[nH]c(-c3cc(F)ccc3C(F)(F)F)nc12

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ FAAH O00519 6/20 0.40
▸ PTGES O14684 1/20 0.40
▸ WDR5 P61964 4/20 0.38
▸ FLT3 P36888 2/20 0.38
▸ PRKCA P17252 2/20 0.36
▸ PRKCQ Q04759 2/20 0.36
▸ GSK3B P49841 1/20 0.36
▸ PIK3C2B O00750 1/20 0.35

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
SCHEMBL12662478 0.94 FAAH (0.40) FAAHPTGESWDR5FLT3PIK3C2B
SCHEMBL12662378 0.92 PTGES (0.44) PTGESFLT3GSK3BPIK3C2B
SCHEMBL12662402 0.90 PTGES (0.42) PTGESWDR5FLT3PRKCAPRKCQ
SCHEMBL12662579 0.89 FAAH (0.39) FAAHWDR5
SCHEMBL12662398 0.88 PTGES (0.43) PTGESFLT3PIK3C2B
SCHEMBL12662551 0.87 FAAH (0.41) FAAHWDR5
SCHEMBL12662403 0.86 PTGES (0.45) PTGESFLT3GSK3B
SCHEMBL12662476 0.84 PTGES (0.42) PTGESWDR5FLT3
SCHEMBL12662400 0.83 LMNA (0.45) PTGESWDR5FLT3
SCHEMBL12662057 0.83 PARP1 (0.48) FAAH

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
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

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 FAAH 2426/4885PTGES 1022/4885WDR5 556/4885
US-20150057272-A1 BENZIMIDAZOLES AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRT3, SIRT1, SIRT2 FAAH 1840/4885PTGES 1594/4885WDR5 644/4885

“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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