SCHEMBL543566

SCHEMBL543566

CC1=CN2C(=NC(=O)C2(Cc2ccc(C#N)cc2)Cc2ccc(C#N)cc2)S1

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.33
CYP11B1 P15538 2/20 0.33
CYP11B2 P19099 2/20 0.33
CYP2A6 P11509 1/20 0.33
IDH1 O75874 1/20 0.33
CA12 O43570 1/20 0.32
CA9 Q16790 1/20 0.32
ELANE P08246 1/20 0.32
LOXL2 Q9Y4K0 2/20 0.32
TYMP P19971 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
SCHEMBL543933 0.84 RGS4 (0.31)
SCHEMBL543719 0.80 CYP19A1 (0.33) CYP19A1CYP11B1CYP11B2CYP2A6ELANE
SCHEMBL543420 0.70 ALDH1A1 (0.40) CYP19A1CYP11B1CYP11B2CYP2A6ELANE
SCHEMBL544166 0.59 HTT (0.36)
SCHEMBL7365863 0.55 CA12 (0.47) CYP19A1CYP11B1CYP11B2CYP2A6CA12
SCHEMBL595992 0.54 LOXL2 (0.58) CYP19A1CYP2A6CA12CA9LOXL2
Bromide SCHEMBL467284 0.54 LOXL2 (0.58) CYP19A1CYP2A6CA12CA9LOXL2
SCHEMBL91062 0.54 CYP2A6 (1.00) CYP19A1CYP2A6CA12CA9LOXL2
SCHEMBL13776817 0.53 CYP2A6 (0.58) CYP19A1CYP2A6CA12CA9LOXL2
SCHEMBL26052437 0.53 CYP2A6 (0.64) CYP19A1CYP2A6CA12CA9LOXL2

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 33 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-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-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-2012094612-A1 METHOD OF TREATING ESSENTIAL TREMOR ZENYAKU KOGYO KABUSHIKIKAISHA (JP) 2012-07-12 WO disclosed
WO-2012094615-A2 USE OF CAV3.1 SELECTIVE T-TYPE CALCIUM CHANNEL ANTAGONISTS ZENYAKU KOGYO KABUSHIKIKAISHA (JP) 2012-07-12 WO disclosed
EP-2429522-A2 METHOD OF DECREASING UBIQUITYLATED PROTEIN LEVELS The Regents of the University of California Office of Technology Transfer (US) 2012-03-21 EP disclosed
EP-2419100-A2 METHOD OF DECREASING PRO-ADAM10 SECRETASE AND/OR BETA SECRETASE LEVELS Green, Kim Nicholas (US) 2012-02-22 EP disclosed
EP-2077835-A2 AN ALZHEIMER'S DISEASE PROGRESSION INHIBITOR CONTAINING HETEROCYCLIC COMPOUND ZENYAKU KOGYO KABUSHIKI KAISHA (JP) 2009-07-15 EP disclosed
EP-2077836-A2 ANTIDEPRESSANT, NEUROPROTECTANT, AMYLOID BETA DEPOSITION INHIBITOR OR AGE RETARDANT CONTAINING HETEROCYCLIC COMPOUND ZENYAKU KOGYO KABUSHIKI KAISHA (JP) 2009-07-15 EP 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

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 730/4885CYP11B1 364/4885CYP11B2 352/4885
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 560/4885CYP11B1 607/4885CYP11B2 613/4885
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 648/4885CYP11B1 872/4885CYP11B2 928/4885
US-20040048879-A1 Heterocyclic compounds and cerebral function improvers containing the same as the active ingredient CBR1, CBR3, CHAT CYP19A1 1165/4885CYP11B1 418/4885CYP11B2 448/4885
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 2766/4885CYP11B1 907/4885CYP11B2 1169/4885

“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.