SCHEMBL1893923

SCHEMBL1893923

O=C(Nc1ccc(CN2CCCC2)cc1)c1cccc2[nH]c(-c3cc(CN4CCCC4)ccc3C(F)(F)F)nc12

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 10/20 0.53
HRH3 Q9Y5N1 2/20 0.47
DHODH Q02127 1/20 0.46
MAPT P10636 1/20 0.45
WNT1 P04628 1/20 0.45
DYRK1A Q13627 1/20 0.45
PTGES O14684 1/20 0.43
CDK5 Q00535 1/20 0.43
CDK5R1 Q15078 1/20 0.43
GAA P10253 1/20 0.43
HTT P42858 1/20 0.43
RAB9A P51151 1/20 0.43
KDR P35968 1/20 0.42
AURKB Q96GD4 1/20 0.42
LMNA P02545 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
SCHEMBL1889901 0.93 PARP1 (0.53) PARP1HRH3DHODHMAPTWNT1
SCHEMBL12662100 0.90 PARP1 (0.51) PARP1HRH3DHODHMAPTWNT1
SCHEMBL12662662 0.89 PARP1 (0.51) PARP1HRH3DHODHMAPTWNT1
SCHEMBL1891653 0.89 PARP1 (0.49) PARP1HRH3DHODHMAPTWNT1
SCHEMBL1894207 0.88 PARP1 (0.48) PARP1DHODHWNT1DYRK1AKDR
SCHEMBL13551078 0.87 PARP1 (0.47) PARP1DHODHCDK5CDK5R1KDR
SCHEMBL1891861 0.86 PARP1 (0.47) PARP1DHODHKDRAURKB
SCHEMBL1893371 0.85 PARP1 (0.51) PARP1DHODHPTGESCDK5CDK5R1
SCHEMBL12662469 0.84 PARP1 (0.42) PARP1DHODHWNT1PTGES
SCHEMBL12662369 0.83 PARP1 (0.46) PARP1DHODHWNT1DYRK1AKDR

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 10 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-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 287/4885HRH3 3639/4885DHODH 1336/4885
US-20150057272-A1 BENZIMIDAZOLES AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRT3, SIRT1, SIRT2 PARP1 331/4885HRH3 2857/4885DHODH 1291/4885

“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.