SCHEMBL543513

SCHEMBL543513

O=C1N=C2C=CC=CN2C1(Cc1ccccc1)Cc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.48
HPGD P15428 2/20 0.48
HSD17B10 Q99714 1/20 0.48
RCE1 Q9Y256 1/20 0.37
ELANE P08246 2/20 0.36
KDM4E B2RXH2 1/20 0.32
GAA P10253 1/20 0.32
GSK3A P49840 1/20 0.31
GSK3B P49841 1/20 0.31
MGLL Q99685 1/20 0.31
BACE1 P56817 1/20 0.30

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
SCHEMBL637893 0.92 ALDH1A1 (0.42) ALDH1A1HPGDHSD17B10RCE1ELANE
SCHEMBL544091 0.86 ALDH1A1 (0.43) ALDH1A1HPGDHSD17B10
SCHEMBL640695 0.83 ALDH1A1 (0.44) ALDH1A1HPGDHSD17B10RCE1GSK3A
SCHEMBL543420 0.82 ALDH1A1 (0.40) ALDH1A1HPGDHSD17B10ELANE
SCHEMBL544393 0.82 ALDH1A1 (0.43) ALDH1A1HPGDHSD17B10KDM4EGAA
SCHEMBL544337 0.82 ALDH1A1 (0.43) ALDH1A1HPGDHSD17B10RCE1KDM4E
SCHEMBL543866 0.79 ALDH1A1 (0.42) ALDH1A1HPGDHSD17B10
SCHEMBL15803165 0.79 ALDH1A1 (0.40) ALDH1A1HPGDHSD17B10KDM4E
SCHEMBL543720 0.78 ALDH1A1 (0.44) ALDH1A1HPGDHSD17B10KDM4E
SCHEMBL543569 0.78 ALDH1A1 (0.41) ALDH1A1HPGDHSD17B10RCE1KDM4E

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 58 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2388002-B1 Antidepressant containing heterocyclic compound having specific structure ZENYAKU KOGYO KK (JP) 2013-03-13 EP claimed
EP-2388002-A2 Antidepressant containing heterocyclic compound having specific structure ZENYAKU KOGYO KABUSHIKIKAISHA (JP) 2011-11-23 EP claimed
US-8040824-B2 Methods and apparatus for content delivery via application level multicast with minimum communication delay INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2011-10-18 US claimed
US-20110059998-A1 KIT, COMPOSITION, PRODUCT OR MEDICAMENT FOR TREATING COGNITIVE IMPAIRMENT ZENYAKU KOGYO KABUSHIKI KAISHA 2011-03-10 US claimed
EP-2257290-A1 KIT, COMPOSITION, PRODUCT OR MEDICAMENT FOR TREATING COGNITIVE IMPAIRMENT ZENYAKU KOGYO KABUSHIKIKAISHA (JP) 2010-12-08 EP claimed
WO-2009107401-A1 KIT, COMPOSITION, PRODUCT OR MEDICAMENT FOR TREATING COGNITIVE IMPAIRMENT ZENYAKU KOGYO KABUSHIKIKAISHA (JP) 2009-09-03 WO claimed
US-20090221554-A1 METHOD OF TREATING COGNITIVE IMPAIRMENT ZENYAKU KOGYO KABUSHIKI KAISHA (JP) 2009-09-03 US claimed
EP-2077836-A2 ANTIDEPRESSANT, NEUROPROTECTANT, AMYLOID BETA DEPOSITION INHIBITOR OR AGE RETARDANT CONTAINING HETEROCYCLIC COMPOUND ZENYAKU KOGYO KABUSHIKI KAISHA (JP) 2009-07-15 EP claimed
US-20080103157-A1 3,3-dibenzylimidazo[1,2-a]pyridin-2(3H)-one; antidepressant, neuroprotectant, antiaging agent; manic depressive psychoses, obsessive-compulsive disorder; orally ZENYAKU KOGYO KABUSHIKI KAISHA (JP) 2008-05-01 US claimed
WO-2008047952-A2 ANTIDEPRESSANT, NEUROPROTECTANT, AMYLOID BETA DEPOSITION INHIBITOR OR AGE RETARDANT CONTAINING HETEROCYCLIC COMPOUND ZENYAKU KOGYO KABUSHIKIKAISHA (JP) 2008-04-24 WO claimed
EP-2388000-B1 Neuroprotectant containing heterocyclic compound having specific structure ZENYAKU KOGYO KK (JP) 2016-04-06 EP disclosed
EP-2388000-B1 Neuroprotectant containing heterocyclic compound having specific structure ZENYAKU KOGYO KK (JP) 2016-04-06 EP disclosed
EP-2077836-B1 AMYLOID BETA DEPOSITION INHIBITOR CONTAINING SPIRO-HETEROCYCLIC COMPOUND ZENYAKU KOGYO KK (JP) 2016-03-09 EP disclosed
EP-2077836-B1 AMYLOID BETA DEPOSITION INHIBITOR CONTAINING SPIRO-HETEROCYCLIC COMPOUND ZENYAKU KOGYO KK (JP) 2016-03-09 EP disclosed
EP-2388001-B1 Age retardant containing heterocyclic compound having specific structure ZENYAKU KOGYO KK (JP) 2015-12-16 EP disclosed
WO-2008047952-A2 ANTIDEPRESSANT, NEUROPROTECTANT, AMYLOID BETA DEPOSITION INHIBITOR OR AGE RETARDANT CONTAINING HETEROCYCLIC COMPOUND ZENYAKU KOGYO KABUSHIKIKAISHA (JP) 2008-04-24 WO disclosed
WO-2008047951-A2 AN ALZHEIMER' S DISEASE PROGRESSION INHIBITOR CONTAINING HETEROCYCLIC COMPOUND ZENYAKU KOGYO KABUSHIKIKAISHA (JP) 2008-04-24 WO disclosed
EP-1219621-B1 AZAINDOLIZINONE DERIVATIVES AND COGNITIVE ENHANCERS COMPRISING THE SAME AS EFFECTIVE COMPONENTS ZENYAKU KOGYO KK (JP) 2003-10-22 EP disclosed
US-6635652-B1 Senile dementia and Alzheimer's disease ZENYAKU KOGYO KABUSHIKI KAISHA (JP) 2003-10-21 US disclosed
EP-1219621-A1 AZAINDOLIZINONE DERIVATIVES AND CEREBRAL FUNCTION IMPROVERS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ZENYAKU KOGYO KABUSHIKI KAISHA (JP) 2002-07-03 EP 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 (3 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-20080103157-A1 3,3-dibenzylimidazo[1,2-a]pyridin-2(3H)-one; antidepressant, neuroprotectant, antiaging agent; manic depressive psychoses, obsessive-compulsive disorder; orally PSEN1, PSEN2, BDNF ALDH1A1 159/4885HPGD 570/4885HSD17B10 761/4885
US-20110059998-A1 KIT, COMPOSITION, PRODUCT OR MEDICAMENT FOR TREATING COGNITIVE IMPAIRMENT KIT, CHAT, BDNF ALDH1A1 1567/4885HPGD 1443/4885HSD17B10 2360/4885
US-20090221554-A1 METHOD OF TREATING COGNITIVE IMPAIRMENT CHAT, ACHE, BCHE ALDH1A1 1056/4885HPGD 253/4885HSD17B10 568/4885

“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.