SCHEMBL543791

SCHEMBL543791

O=C1N=C2SC=CN2C1(Cc1ccccc1)Cc1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ELANE P08246 2/20 0.36
ITGB2 P05107 1/20 0.31
ICAM1 P05362 1/20 0.31
ITGAL P20701 1/20 0.31
ALDH1A1 P00352 2/20 0.30
GSK3A P49840 1/20 0.30
GSK3B P49841 1/20 0.30
BACE1 P56817 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
THPO P40225 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
SCHEMBL543719 0.82 CYP19A1 (0.33) ELANE
SCHEMBL543867 0.77 ELANE (0.37) ELANEITGB2ICAM1ITGALALDH1A1
SCHEMBL543513 0.71 ALDH1A1 (0.48) ELANEALDH1A1GSK3AGSK3BBACE1
SCHEMBL543781 0.70 CNR1 (0.40) ELANECYP1A2CYP2C9CYP2C19
SCHEMBL893095 0.70 ELANE (0.35) ELANE
SCHEMBL543659 0.69 ELANE (0.37) ELANEALDH1A1BACE1
SCHEMBL543845 0.69 ELANE (0.34) ELANEALDH1A1BACE1
Hydrochloric Acid SCHEMBL892604 0.68 ELANE (0.33) ELANEALDH1A1BACE1
SCHEMBL544423 0.66 ELANE (0.35) ELANEALDH1A1
SCHEMBL544341 0.66 ELANE (0.34) ELANEITGB2ICAM1ITGALGSK3A

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 66 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
US-7767824-B2 Heterocyclic compounds and cerebral function improvers containing the same as the active ingredient ZENYAKU KOGYO KABUSHIKI KAISHA (JP) 2010-08-03 US 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
EP-2077835-A2 AN ALZHEIMER'S DISEASE PROGRESSION INHIBITOR 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-2008047951-A2 AN ALZHEIMER' S DISEASE PROGRESSION INHIBITOR CONTAINING HETEROCYCLIC COMPOUND ZENYAKU KOGYO KABUSHIKIKAISHA (JP) 2008-04-24 WO 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
US-20060205742-A1 Heterocyclic compounds and cerebral function improvers containing the same as the active ingredient ZENYAKU KOGYO KABUSHIKI KAISHA (JP) 2006-09-14 US claimed
EP-1357124-B1 HETEROCYCLIC COMPOUNDS AND CEREBRAL FUNCTION IMPROVERS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ZENYAKU KOGYO KK (JP) 2005-08-03 EP claimed
US-20040048879-A1 Heterocyclic compounds and cerebral function improvers containing the same as the active ingredient ZENYAKU KOGYO KABUSHIKI KAISHA (JP) 2004-03-11 US claimed
EP-1357124-A1 HETEROCYCLIC COMPOUNDS AND CEREBRAL FUNCTION IMPROVERS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ZENYAKU KOGYO KABUSHIKI KAISHA (JP) 2003-10-29 EP claimed
EP-2388000-B1 Neuroprotectant containing heterocyclic compound having specific structure ZENYAKU KOGYO KK (JP) 2016-04-06 EP disclosed
US-20040048879-A1 Heterocyclic compounds and cerebral function improvers containing the same as the active ingredient ZENYAKU KOGYO KABUSHIKI KAISHA (JP) 2004-03-11 US disclosed
EP-1357124-A1 HETEROCYCLIC COMPOUNDS AND CEREBRAL FUNCTION IMPROVERS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ZENYAKU KOGYO KABUSHIKI KAISHA (JP) 2003-10-29 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 (5 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-20060205742-A1 Heterocyclic compounds and cerebral function improvers containing the same as the active ingredient CBR3, CBR1, C1R ELANE 3133/4885ITGB2 4823/4885ICAM1 4458/4885
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 ELANE 2190/4885ITGB2 2308/4885ICAM1 2419/4885
US-20110059998-A1 KIT, COMPOSITION, PRODUCT OR MEDICAMENT FOR TREATING COGNITIVE IMPAIRMENT KIT, CHAT, BDNF ELANE 3388/4885ITGB2 4838/4885ICAM1 4618/4885
US-20040048879-A1 Heterocyclic compounds and cerebral function improvers containing the same as the active ingredient CBR1, CBR3, CHAT ELANE 3938/4885ITGB2 4433/4885ICAM1 3057/4885
US-20090221554-A1 METHOD OF TREATING COGNITIVE IMPAIRMENT CHAT, ACHE, BCHE ELANE 1639/4885ITGB2 4536/4885ICAM1 4184/4885

“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.