SCHEMBL543814

SCHEMBL543814

O=C1N=C2c3ccccc3C=CN2C12Cc1ccccc1C2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CFTR P13569 1/20 0.38
AVPR1A P37288 6/20 0.34
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
LMNA P02545 1/20 0.30
BCHE P06276 1/20 0.30
POLB P06746 1/20 0.30
PTPRC P08575 1/20 0.30
MAPT P10636 1/20 0.30
THRB P10828 1/20 0.30
PKM P14618 1/20 0.30
IDO1 P14902 1/20 0.30
HPGD P15428 1/20 0.30
ALOX15 P16050 1/20 0.30
PTPN1 P18031 1/20 0.30
ACHE P22303 1/20 0.30
CES1 P23141 1/20 0.30
RECQL P46063 1/20 0.30
KMT2A Q03164 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
SCHEMBL14181778 0.88 CFTR (0.33) CFTR
SCHEMBL544381 0.84 CFTR (0.38) CFTRALDH1A1KDM4EMEN1LMNA
SCHEMBL543542 0.84 CFTR (0.38) CFTRALDH1A1KDM4EMEN1LMNA
SCHEMBL15803168 0.79 CFTR (0.30) CFTR
SCHEMBL892731 0.74 ALDH1A1 (0.42) CFTRALDH1A1LMNAPOLB
SCHEMBL892829 0.73 AVPR1A (0.32) AVPR1A
SCHEMBL17554695 0.72 CFTR (0.38) CFTRALDH1A1
Ismidenon SCHEMBL543559 0.71 ALDH1A1 (0.43) AVPR1AALDH1A1KDM4EHPGDHSD17B10
Ismidenon SCHEMBL29350198 0.71 ALDH1A1 (0.43) AVPR1AALDH1A1KDM4EHPGDHSD17B10
SCHEMBL3171120 0.69 ALDH1A1 (0.46) CFTRALDH1A1MEN1MAPTPKM

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-2077836-B1 AMYLOID BETA DEPOSITION INHIBITOR CONTAINING SPIRO-HETEROCYCLIC COMPOUND ZENYAKU KOGYO KK (JP) 2016-03-09 EP claimed
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-2077835-A2 AN ALZHEIMER'S DISEASE PROGRESSION INHIBITOR CONTAINING HETEROCYCLIC COMPOUND ZENYAKU KOGYO KABUSHIKI KAISHA (JP) 2009-07-15 EP 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-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-7141579-B2 Heterocyclic compounds and cerebral function improvers containing the same as the active ingredient ZENYAKU KOGYO KABUSHIKI KAISHA (JP) 2006-11-28 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 (4 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 CFTR 4797/4885AVPR1A 2382/4885ALDH1A1 159/4885
US-20110059998-A1 KIT, COMPOSITION, PRODUCT OR MEDICAMENT FOR TREATING COGNITIVE IMPAIRMENT KIT, CHAT, BDNF CFTR 3992/4885AVPR1A 1087/4885ALDH1A1 1567/4885
US-20040048879-A1 Heterocyclic compounds and cerebral function improvers containing the same as the active ingredient CBR1, CBR3, CHAT CFTR 3422/4885AVPR1A 1823/4885ALDH1A1 1111/4885
US-20090221554-A1 METHOD OF TREATING COGNITIVE IMPAIRMENT CHAT, ACHE, BCHE CFTR 4868/4885AVPR1A 2215/4885ALDH1A1 1056/4885

“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.