SCHEMBL12662384

SCHEMBL12662384

COc1cc(C(=O)Nc2nccs2)c2nc(-c3ccccc3C(F)(F)F)[nH]c2c1

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 3/20 0.50
▸ RAB9A P51151 3/20 0.50
▸ PTGES O14684 9/20 0.47
▸ PARP1 P09874 1/20 0.46
▸ MEN1 O00255 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ KCNMA1 Q12791 1/20 0.43
▸ TEK Q02763 1/20 0.42

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
SCHEMBL12662385 0.90 KCNMA1 (0.53) NPC1RAB9APTGESMEN1KMT2A
SCHEMBL1894188 0.85 PARP1 (0.48) NPC1RAB9APTGESPARP1MEN1
SCHEMBL1893869 0.85 PARP1 (0.61) NPC1RAB9APARP1
SCHEMBL1890883 0.83 PARP1 (0.49) NPC1RAB9APTGESPARP1MEN1
SCHEMBL1889697 0.81 LMNA (0.50) NPC1RAB9APTGESPARP1MEN1
SCHEMBL1895826 0.81 PARP1 (0.56) PARP1TEK
SCHEMBL13256162 0.80 CYP1A2 (0.46) NPC1RAB9APARP1
SCHEMBL12673130 0.78 PARP1 (0.52) NPC1RAB9APARP1
SCHEMBL12662382 0.77 KCNMA1 (0.46) NPC1RAB9APTGESPARP1MEN1
SCHEMBL12673320 0.77 PARP1 (0.48) NPC1RAB9APARP1

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 NPC1 3662/4885RAB9A 1249/4885PTGES 1022/4885
US-20150057272-A1 BENZIMIDAZOLES AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRT3, SIRT1, SIRT2 NPC1 3774/4885RAB9A 1407/4885PTGES 1594/4885

“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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