SCHEMBL543781

SCHEMBL543781

O=C1N=C2SCCN2C1(Cc1ccccc1)Cc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 2/20 0.40
CYP2C19 P33261 2/20 0.38
GAA P10253 1/20 0.38
CYP2C9 P11712 1/20 0.38
ELANE P08246 1/20 0.35
MAPK1 P28482 2/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
TNKS2 Q9H2K2 1/20 0.34
KCNH2 Q12809 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
CYP1A2 P05177 1/20 0.33
HPGD P15428 1/20 0.33
HIF1A Q16665 1/20 0.33

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
SCHEMBL543661 0.86 NPC1 (0.36) CNR1CYP2C19GAACYP2C9MAPT
SCHEMBL14767535 0.70 CYP2C19 (0.34) CNR1CYP2C19GAACYP2C9ELANE
SCHEMBL543791 0.70 ELANE (0.36) CYP2C19CYP2C9ELANECYP1A2
SCHEMBL543867 0.68 ELANE (0.37) GAAELANELMNAMAPT
SCHEMBL544235 0.61 ELANE (0.39) GAAELANEMAPTMEN1KMT2A
SCHEMBL543513 0.61 ALDH1A1 (0.48) GAAELANEHPGD
Ethylbenzene SCHEMBL11182786 0.60 CNR1 (0.41) CNR1CYP2C19GAACYP2C9LMNA
SCHEMBL893095 0.60 ELANE (0.35) ELANE
SCHEMBL11182780 0.59 CNR1 (0.40) CNR1CYP2C19CYP2C9LMNAMAPT
SCHEMBL544341 0.59 ELANE (0.34) ELANE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
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-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
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
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 (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-20060205742-A1 Heterocyclic compounds and cerebral function improvers containing the same as the active ingredient CBR3, CBR1, C1R CNR1 5/4885CYP2C19 1002/4885GAA 2278/4885
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 CNR1 1557/4885CYP2C19 1147/4885GAA 765/4885
US-20040048879-A1 Heterocyclic compounds and cerebral function improvers containing the same as the active ingredient CBR1, CBR3, CHAT CNR1 4/4885CYP2C19 1524/4885GAA 1663/4885

“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.