SCHEMBL543719

SCHEMBL543719

N#Cc1ccc(CC2(Cc3ccc(C#N)cc3)C(=O)N=C3SC=CN32)cc1

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 4/20 0.33
LOXL2 Q9Y4K0 2/20 0.32
CYP2A6 P11509 1/20 0.32
CYP11B1 P15538 2/20 0.31
CYP11B2 P19099 2/20 0.31
ELANE P08246 1/20 0.31
MAOA P21397 1/20 0.31
MAOB P27338 1/20 0.31
KCNJ1 P48048 1/20 0.31
KCNH2 Q12809 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
SCHEMBL543566 0.80 CYP19A1 (0.33) CYP19A1LOXL2CYP2A6CYP11B1CYP11B2
SCHEMBL543420 0.74 ALDH1A1 (0.40) CYP19A1LOXL2CYP2A6CYP11B1CYP11B2
SCHEMBL543933 0.62 RGS4 (0.31)
SCHEMBL6562307 0.56 LOXL2 (0.54) CYP19A1LOXL2CYP2A6CYP11B1CYP11B2
SCHEMBL595992 0.55 LOXL2 (0.58) CYP19A1LOXL2CYP2A6MAOAMAOB
SCHEMBL13776817 0.55 CYP2A6 (0.58) CYP19A1LOXL2CYP2A6MAOAMAOB
SCHEMBL1004267 0.54 LOXL2 (0.64) CYP19A1LOXL2CYP2A6MAOAMAOB
SCHEMBL1344068 0.54 LOXL2 (0.65) CYP19A1LOXL2CYP2A6MAOAMAOB
Benzoquinone SCHEMBL28263556 0.54 CA2 (0.50) LOXL2CYP2A6MAOAMAOB
Hydrogen Sulfide SCHEMBL27473258 0.54 LOXL2 (0.56) CYP19A1LOXL2CYP2A6MAOAMAOB

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-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-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-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
EP-2388002-B1 Antidepressant containing heterocyclic compound having specific structure ZENYAKU KOGYO KK (JP) 2013-03-13 EP disclosed
WO-2012094615-A2 USE OF CAV3.1 SELECTIVE T-TYPE CALCIUM CHANNEL ANTAGONISTS ZENYAKU KOGYO KABUSHIKIKAISHA (JP) 2012-07-12 WO 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 CYP19A1 730/4885LOXL2 1814/4885CYP2A6 339/4885
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 CYP19A1 560/4885LOXL2 1923/4885CYP2A6 1903/4885
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 CYP19A1 648/4885LOXL2 963/4885CYP2A6 1865/4885
US-20040048879-A1 Heterocyclic compounds and cerebral function improvers containing the same as the active ingredient CBR1, CBR3, CHAT CYP19A1 1165/4885LOXL2 1667/4885CYP2A6 503/4885
US-20140171452-A1 METHODS FOR TREATING DEPRESSION, NEURODEGENERATION, INHIBITING AMYLOID BETA DEPOSITION, DELAYING SENESCENCE, AND EXTENDING LIFE SPANS WITH HETEROCYCLIC COMPOUNDS PSEN1, GAP43, PSEN2 CYP19A1 2766/4885LOXL2 3129/4885CYP2A6 4221/4885

“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.