SCHEMBL1892073

SCHEMBL1892073

CC1CN(c2cccc(-c3nc4c(C(=O)Nc5nccs5)cccc4[nH]3)c2)CC(C)O1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 1/20 0.41
PKN1 Q16512 1/20 0.41
PKN2 Q16513 1/20 0.41
MAPKAPK2 P49137 2/20 0.40
LMNA P02545 4/20 0.40
MAPT P10636 3/20 0.40
KMT2A Q03164 3/20 0.40
ALDH1A1 P00352 3/20 0.40
RAB9A P51151 3/20 0.40
MEN1 O00255 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HPGD P15428 4/20 0.40
USP2 O75604 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TAAR1 Q96RJ0 1/20 0.40
HSD17B10 Q99714 1/20 0.40
PARP1 P09874 2/20 0.39
SIRT2 Q8IXJ6 1/20 0.39
POLB P06746 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
SCHEMBL12662272 1.00 LRRK2 (0.41) LRRK2PKN1PKN2MAPKAPK2LMNA
SCHEMBL12662160 0.87 PARP1 (0.48) PKN1PKN2LMNAMAPTKMT2A
SCHEMBL12673311 0.87 PARP1 (0.45) PKN1PKN2LMNAMAPTKMT2A
SCHEMBL12673371 0.86 LMNA (0.51) LMNAMAPTKMT2AALDH1A1RAB9A
SCHEMBL12673308 0.86 PARP1 (0.46) PKN1PKN2LMNAMAPTKMT2A
SCHEMBL12662432 0.86 PARP1 (0.40) LRRK2MAPKAPK2LMNAMAPTKMT2A
SCHEMBL12662333 0.86 PARP1 (0.40) LRRK2MAPKAPK2LMNAMAPTKMT2A
SCHEMBL12662270 0.85 LRRK2 (0.42) LRRK2PKN1PKN2PARP1
SCHEMBL12662165 0.84 PARP1 (0.44) PKN1PKN2LMNAMAPTKMT2A
SCHEMBL13551105 0.82 ALDH1A1 (0.42) LRRK2PKN1PKN2LMNAMAPT

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-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
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

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 LRRK2 691/4885PKN1 1869/4885PKN2 2053/4885
US-20150057272-A1 BENZIMIDAZOLES AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRT3, SIRT1, SIRT2 LRRK2 1058/4885PKN1 2208/4885PKN2 2566/4885

“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.