SCHEMBL543542

SCHEMBL543542

O=C1N=C2c3ccccc3C=CN2C12CCCC2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CFTR P13569 1/20 0.38
ALDH1A1 P00352 2/20 0.38
NPSR1 Q6W5P4 1/20 0.32
LMNA P02545 2/20 0.31
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
BCHE P06276 1/20 0.31
POLB P06746 1/20 0.31
PTPRC P08575 1/20 0.31
MAPT P10636 1/20 0.31
THRB P10828 1/20 0.31
PKM P14618 1/20 0.31
IDO1 P14902 1/20 0.31
HPGD P15428 1/20 0.31
ALOX15 P16050 1/20 0.31
PTPN1 P18031 1/20 0.31
ACHE P22303 1/20 0.31
CES1 P23141 1/20 0.31
RECQL P46063 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL544381 0.86 CFTR (0.38) CFTRALDH1A1LMNAKDM4EMEN1
SCHEMBL543814 0.84 CFTR (0.38) CFTRALDH1A1LMNAKDM4EMEN1
SCHEMBL14181778 0.76 CFTR (0.33) CFTR
SCHEMBL17554695 0.76 CFTR (0.38) CFTRALDH1A1
SCHEMBL11657037 0.74 ALDH1A1 (0.56) ALDH1A1LMNAKDM4EPOLBMAPT
SCHEMBL11657226 0.73 ALDH1A1 (0.55) ALDH1A1LMNAKDM4EPOLBMAPT
SCHEMBL15803168 0.72 CFTR (0.30) CFTR
SCHEMBL892731 0.72 ALDH1A1 (0.42) CFTRALDH1A1NPSR1LMNAPOLB
SCHEMBL3171120 0.70 ALDH1A1 (0.46) CFTRALDH1A1MEN1MAPTPKM
SCHEMBL637473 0.70

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 46 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-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-2388001-B1 Age retardant containing heterocyclic compound having specific structure ZENYAKU KOGYO KK (JP) 2015-12-16 EP disclosed
EP-2388001-B1 Age retardant containing heterocyclic compound having specific structure ZENYAKU KOGYO KK (JP) 2015-12-16 EP disclosed
US-9089561-B2 Methods for treating depression, neurodegeneration, inhibiting amyloid β deposition, delaying senescence, and extending life spans with heterocyclic compounds ZENYAKU KOGYO KABUSHIKI KAISHA (JP) 2015-07-28 US disclosed
US-9089561-B2 Methods for treating depression, neurodegeneration, inhibiting amyloid β deposition, delaying senescence, and extending life spans with heterocyclic compounds ZENYAKU KOGYO KABUSHIKI KAISHA (JP) 2015-07-28 US disclosed
US-9089561-B2 Methods for treating depression, neurodegeneration, inhibiting amyloid β deposition, delaying senescence, and extending life spans with heterocyclic compounds ZENYAKU KOGYO KABUSHIKI KAISHA (JP) 2015-07-28 US disclosed
US-20140171452-A1 METHODS FOR TREATING DEPRESSION, NEURODEGENERATION, INHIBITING AMYLOID BETA DEPOSITION, DELAYING SENESCENCE, AND EXTENDING LIFE SPANS WITH HETEROCYCLIC COMPOUNDS ZENYAKU KOGYO KABUSHIKI KAISHA (JP) 2014-06-19 US disclosed
US-20140171452-A1 METHODS FOR TREATING DEPRESSION, NEURODEGENERATION, INHIBITING AMYLOID BETA DEPOSITION, DELAYING SENESCENCE, AND EXTENDING LIFE SPANS WITH HETEROCYCLIC COMPOUNDS ZENYAKU KOGYO KABUSHIKI KAISHA (JP) 2014-06-19 US disclosed
US-20080103158-A1 spiro[imidazo[1,2-a]pyridin-2(3H)-one-3,2'-indan]; antidepressant, neuroprotectant, antiaging agent; manic depressive psychoses, obsessive-compulsive disorder; orally ZENYAKU KOGYO KABUSHIKI KAISHA (JP) 2008-05-01 US disclosed
US-20080103158-A1 spiro[imidazo[1,2-a]pyridin-2(3H)-one-3,2'-indan]; antidepressant, neuroprotectant, antiaging agent; manic depressive psychoses, obsessive-compulsive disorder; orally ZENYAKU KOGYO KABUSHIKI KAISHA (JP) 2008-05-01 US disclosed
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 disclosed
WO-2008047951-A2 AN ALZHEIMER' S DISEASE PROGRESSION INHIBITOR CONTAINING HETEROCYCLIC COMPOUND ZENYAKU KOGYO KABUSHIKIKAISHA (JP) 2008-04-24 WO 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
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 disclosed
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 disclosed
EP-1357124-B1 HETEROCYCLIC COMPOUNDS AND CEREBRAL FUNCTION IMPROVERS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ZENYAKU KOGYO KK (JP) 2005-08-03 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 CFTR 3125/4885ALDH1A1 2375/4885NPSR1 34/4885
US-20080103158-A1 spiro[imidazo[1,2-a]pyridin-2(3H)-one-3,2'-indan]; antidepressant, neuroprotectant, antiaging agent; manic depressive psychoses, obsessive-compulsive disorder; orally PSEN1, PSEN2, GRN CFTR 4516/4885ALDH1A1 116/4885NPSR1 318/4885
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 CFTR 4797/4885ALDH1A1 159/4885NPSR1 350/4885
US-20040048879-A1 Heterocyclic compounds and cerebral function improvers containing the same as the active ingredient CBR1, CBR3, CHAT CFTR 3422/4885ALDH1A1 1111/4885NPSR1 135/4885
US-20140171452-A1 METHODS FOR TREATING DEPRESSION, NEURODEGENERATION, INHIBITING AMYLOID BETA DEPOSITION, DELAYING SENESCENCE, AND EXTENDING LIFE SPANS WITH HETEROCYCLIC COMPOUNDS PSEN1, GAP43, PSEN2 CFTR 4873/4885ALDH1A1 905/4885NPSR1 1191/4885

“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.