SCHEMBL12661872

SCHEMBL12661872

Cc1cnc(NC(=O)c2cccc3[nH]c(-c4ccc(F)cc4C(F)(F)F)nc23)s1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 2/20 0.46
▸ ALDH1A1 P00352 2/20 0.41
▸ NPC1 O15118 4/20 0.39
▸ RAB9A P51151 4/20 0.39
▸ GRM5 P41594 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ DHODH Q02127 4/20 0.39
▸ KDR P35968 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ PKM P14618 1/20 0.38
▸ PTGES O14684 2/20 0.38

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
SCHEMBL12661913 0.93 PARP1 (0.46) PARP1ALDH1A1NPC1RAB9AGRM5
SCHEMBL12673201 0.91 PARP1 (0.46) PARP1ALDH1A1NPC1RAB9AMEN1
SCHEMBL12662487 0.90 ALDH1A1 (0.41) PARP1ALDH1A1NPC1RAB9AGRM5
SCHEMBL12673142 0.89 PARP1 (0.59) PARP1ALDH1A1NPC1RAB9AMEN1
SCHEMBL12661873 0.87 PARP1 (0.47) PARP1ALDH1A1NPC1RAB9AMEN1
SCHEMBL12662232 0.86 ALDH1A1 (0.41) PARP1ALDH1A1NPC1RAB9AGRM5
SCHEMBL13551122 0.86 PARP1 (0.41) PARP1ALDH1A1PTGES
SCHEMBL1897596 0.85 PARP1 (0.47) PARP1ALDH1A1NPC1RAB9AMEN1
SCHEMBL12662128 0.84 ALDH1A1 (0.41) PARP1ALDH1A1NPC1RAB9AGRM5
SCHEMBL12662212 0.84 PTGES (0.44) PARP1PTGES

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 PARP1 287/4885ALDH1A1 639/4885NPC1 3662/4885
US-20150057272-A1 BENZIMIDAZOLES AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRT3, SIRT1, SIRT2 PARP1 331/4885ALDH1A1 1031/4885NPC1 3774/4885

“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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