SCHEMBL7868294

SCHEMBL7868294

O=C1CN2C=Cc3ccccc3C2=N1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
GAA P10253 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.35
BCHE P06276 1/20 0.35
POLB P06746 1/20 0.35
PTPRC P08575 1/20 0.35
MAPT P10636 1/20 0.35
THRB P10828 1/20 0.35
PKM P14618 1/20 0.35
IDO1 P14902 1/20 0.35
HPGD P15428 1/20 0.35
ALOX15 P16050 1/20 0.35
PTPN1 P18031 1/20 0.35
ACHE P22303 1/20 0.35
CES1 P23141 1/20 0.35
RECQL P46063 1/20 0.35

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
SCHEMBL10028949 0.80 CFTR (0.32) CFTREEDPTAFR
SCHEMBL13435562 0.74 KDM4E (0.33) KDM4EALDH1A1KMT2AMEN1LMNA
SCHEMBL9447795 0.70 KDM4E (0.36) KDM4EALDH1A1GAASMN1; SMN2KMT2A
SCHEMBL9414994 0.70 KDM4E (0.41) KDM4EALDH1A1GAASMN1; SMN2KMT2A
SCHEMBL11664211 0.70 CFTR (0.38) CFTR
SCHEMBL11666012 0.70 CFTR (0.38) KDM4EALDH1A1KMT2AMEN1LMNA
SCHEMBL11611852 0.69 CFTR (0.34) CFTR
SCHEMBL5626323 0.69 CFTR (0.33) ALDH1A1KMT2AMEN1LMNAMAPT
SCHEMBL12783277 0.69 PTAFR (0.48) EEDPTAFR
SCHEMBL10465075 0.68 CYP2D6 (0.56) KDM4EALDH1A1GAASMN1; SMN2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170309832-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2017-10-26 US disclosed
US-9673402-B2 Platinum metal complexes with divalent groups bridging two ligands MERCK PATENT GMBH (DE) 2017-06-06 US 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-9181289-B2 Metal complexes MERCK PATENT GMBH (DE) 2015-11-10 US disclosed
US-9181289-B2 Metal complexes MERCK PATENT GMBH (DE) 2015-11-10 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
EP-2726490-B1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2015-04-29 EP disclosed
WO-2010115078-A2 METHOD OF TREATING COGNITIVE IMPAIRMENT WEBER ECKARD (US) 2010-10-07 WO disclosed
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 disclosed
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 disclosed
WO-2010077852-A2 METHOD OF INDUCING CLEAVAGE OF AMYLOID PRECURSOR PROTEIN TO FORM A NOVEL FRAGMENT THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2010-07-08 WO disclosed
US-20100168135-A1 Method of Inducing Cleavage of Amyloid Precursor Protein to Form a Novel Fragment ZENYAKU KOGYO KABUSHIKIKAISHA (JP) 2010-07-01 US disclosed
WO-2009107401-A1 KIT, COMPOSITION, PRODUCT OR MEDICAMENT FOR TREATING COGNITIVE IMPAIRMENT ZENYAKU KOGYO KABUSHIKIKAISHA (JP) 2009-09-03 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-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

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-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 KDM4E 4674/4885ALDH1A1 116/4885GAA 765/4885
US-20100168135-A1 Method of Inducing Cleavage of Amyloid Precursor Protein to Form a Novel Fragment APP, APBA1, BACE1 KDM4E 4780/4885ALDH1A1 3405/4885GAA 1284/4885
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 KDM4E 4394/4885ALDH1A1 159/4885GAA 373/4885
US-20170309832-A1 METAL COMPLEXES SOD1, AP1M1, AP3M1 KDM4E 3816/4885ALDH1A1 3721/4885GAA 3358/4885

“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.