SCHEMBL12673113

SCHEMBL12673113

Cc1nc(NC(=O)c2cccc3[nH]c(-c4ccccc4C(F)(F)F)nc23)sc1C

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 6/20 0.60
▸ NPC1 O15118 4/20 0.50
▸ RAB9A P51151 4/20 0.50
▸ MEN1 O00255 2/20 0.50
▸ KMT2A Q03164 2/20 0.50
▸ RXFP1 Q9HBX9 1/20 0.50
▸ PKM P14618 2/20 0.45
▸ SMN1; SMN2 Q16637 3/20 0.44
▸ TP53 P04637 2/20 0.44
▸ HTT P42858 2/20 0.44
▸ HSD17B10 Q99714 2/20 0.44
▸ NPSR1 Q6W5P4 2/20 0.44
▸ MAPT P10636 1/20 0.44
▸ NFKB1 P19838 1/20 0.44
▸ NFKB2 Q00653 1/20 0.44
▸ RELA Q04206 1/20 0.44
▸ MCOLN3 Q8TDD5 1/20 0.44
▸ HDAC3 O15379 1/20 0.43
▸ HDAC7 Q8WUI4 1/20 0.43
▸ HDAC10 Q969S8 1/20 0.43

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
SCHEMBL12661953 0.89 PARP1 (0.47) PARP1NPC1RAB9AMEN1KMT2A
SCHEMBL12661873 0.89 PARP1 (0.47) PARP1NPC1RAB9AMEN1KMT2A
SCHEMBL12661915 0.89 PARP1 (0.47) PARP1NPC1RAB9AMEN1KMT2A
SCHEMBL12673142 0.86 PARP1 (0.59) PARP1NPC1RAB9AMEN1KMT2A
SCHEMBL12673389 0.82 PARP1 (0.61) PARP1NPC1RAB9AMEN1KMT2A
SCHEMBL12662303 0.82 PTGES (0.43) PARP1NPC1RAB9AMEN1KMT2A
SCHEMBL1893869 0.82 PARP1 (0.61) PARP1NPC1RAB9APKMSMN1; SMN2
SCHEMBL13551074 0.79 PARP1 (0.66) PARP1HTTHDAC3HDAC7HDAC10
SCHEMBL12673145 0.79 PARP1 (0.60) PARP1HDAC3HDAC7HDAC10HDAC6
SCHEMBL12662089 0.79 PARP1 (0.60) PARP1NPC1RAB9AMEN1KMT2A

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
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-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 287/4885NPC1 3662/4885RAB9A 1249/4885
US-20150057272-A1 BENZIMIDAZOLES AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRT3, SIRT1, SIRT2 PARP1 331/4885NPC1 3774/4885RAB9A 1407/4885

“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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