SCHEMBL1898859

SCHEMBL1898859

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

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 2/20 0.62
▸ PTGES O14684 1/20 0.49
▸ HDAC3 O15379 1/20 0.47
▸ HDAC7 Q8WUI4 1/20 0.47
▸ HDAC10 Q969S8 1/20 0.47
▸ HDAC6 Q9UBN7 1/20 0.47
▸ DHODH Q02127 12/20 0.45
▸ KDM4E B2RXH2 2/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ HPGD P15428 1/20 0.43
▸ KMO O15229 1/20 0.41

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
SCHEMBL1889612 0.85 PARP1 (0.80) PARP1DHODHKDM4ERAB9AHPGD
SCHEMBL1894297 0.83 PARP1 (0.54) PARP1PTGESHDAC3HDAC7HDAC10
SCHEMBL13551137 0.81 RAB9A (0.48) PTGESDHODHKDM4ERAB9AHPGD
SCHEMBL12662388 0.81 PTGES (0.53) PARP1PTGESHDAC3HDAC7HDAC10
SCHEMBL12662386 0.81 PARP1 (0.52) PARP1PTGESHDAC3HDAC7HDAC10
SCHEMBL12662390 0.79 PARP1 (0.50) PARP1PTGESHDAC3HDAC7HDAC10
SCHEMBL1890883 0.79 PARP1 (0.49) PARP1PTGESHDAC3HDAC7HDAC10
SCHEMBL1895826 0.78 PARP1 (0.56) PARP1HDAC3HDAC7HDAC10HDAC6
SCHEMBL12662391 0.78 PARP1 (0.48) PARP1PTGESHDAC3HDAC7HDAC10
SCHEMBL7320347 0.77 PARP1 (1.00) PARP1DHODH

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 9 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
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-8846947-B2 Benzimidazoles and related analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2014-09-30 — — 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
EP-2315763-A1 BENZIMIDAZOLES AND RELATED ANALOGS AS SIRTUIN MODULATORS Sirtris Pharmaceuticals, Inc. (US) 2011-05-04 — — EP disclosed
WO-2010003048-A1 BENZIMIDAZOLES AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2010-01-07 — — WO 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 287/4885PTGES 1022/4885HDAC3 13/4885
US-20150057272-A1 BENZIMIDAZOLES AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRT3, SIRT1, SIRT2 PARP1 331/4885PTGES 1594/4885HDAC3 11/4885

“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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