SCHEMBL12662386

SCHEMBL12662386

O=C(Nc1ccccn1)c1cncc2[nH]c(-c3ccccc3C(F)(F)F)nc12

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 1/20 0.52
▸ HDAC3 O15379 1/20 0.45
▸ HDAC7 Q8WUI4 1/20 0.45
▸ HDAC10 Q969S8 1/20 0.45
▸ HDAC6 Q9UBN7 1/20 0.45
▸ PTGES O14684 1/20 0.44
▸ CHRNB2 P17787 1/20 0.43
▸ CHRNB4 P30926 1/20 0.43
▸ CHRNA3 P32297 1/20 0.43
▸ CHRNA4 P43681 1/20 0.43
▸ GRM5 P41594 3/20 0.42
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ NPC1 O15118 3/20 0.40
▸ RAB9A P51151 3/20 0.40
▸ TRPV1 Q8NER1 1/20 0.39
▸ KCNMA1 Q12791 1/20 0.39

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
SCHEMBL12662420 0.90 PARP1 (0.41) PARP1HDAC3HDAC7HDAC10HDAC6
SCHEMBL12662479 0.90 PARP1 (0.41) PARP1HDAC3HDAC7HDAC10HDAC6
SCHEMBL12662408 0.90 KCNMA1 (0.49) PARP1HDAC3HDAC7HDAC10HDAC6
SCHEMBL12662390 0.89 PARP1 (0.50) PARP1HDAC3HDAC7HDAC10HDAC6
SCHEMBL1896561 0.88 PARP1 (0.65) PARP1HDAC3HDAC7HDAC10HDAC6
SCHEMBL12662388 0.84 PTGES (0.53) PARP1HDAC3HDAC7HDAC10HDAC6
SCHEMBL1890883 0.84 PARP1 (0.49) PARP1HDAC3HDAC7HDAC10HDAC6
SCHEMBL13256385 0.83 PARP1 (0.47) PARP1HDAC3HDAC7HDAC10HDAC6
SCHEMBL12662495 0.83 PARP1 (0.53) PARP1CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL1894188 0.82 PARP1 (0.48) PARP1HDAC3HDAC7HDAC10HDAC6

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 287/4885HDAC3 13/4885HDAC7 32/4885
US-20150057272-A1 BENZIMIDAZOLES AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRT3, SIRT1, SIRT2 PARP1 331/4885HDAC3 11/4885HDAC7 33/4885

“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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