SCHEMBL644523

SCHEMBL644523

C=CCOc1cc(OC)cc(C(=O)OC)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
KDM4E B2RXH2 4/20 0.43
GAA P10253 2/20 0.43
BLM P54132 2/20 0.42
ADRB2 P07550 1/20 0.42
ADRB1 P08588 1/20 0.42
ADRB3 P13945 1/20 0.42
NPC1 O15118 2/20 0.42
POLB P06746 2/20 0.42
RAB9A P51151 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MAPT P10636 2/20 0.42
FLT3 P36888 1/20 0.41
ALDH1A1 P00352 3/20 0.41
PKM P14618 1/20 0.41
CA12 O43570 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41

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
SCHEMBL20395893 0.95 MAPT (0.44) CA1CA2KDM4EGAABLM
Hydrogen Sulfide SCHEMBL20395882 0.94 MAPT (0.43) CA1CA2KDM4EGAABLM
SCHEMBL644117 0.92 MAPT (0.44) CA1CA2KDM4EGAABLM
SCHEMBL4873232 0.88 ADRB2 (0.40) CA1CA2KDM4EGAABLM
SCHEMBL2530033 0.87 ATM (0.41) CA1CA2KDM4EGAABLM
SCHEMBL19511448 0.87 MEN1 (0.51) CA1CA2KDM4EADRB2ADRB1
SCHEMBL642424 0.86 CA12 (0.56) CA1CA2KDM4EGAABLM
SCHEMBL4878299 0.86 KAT6A (0.51) CA1CA2KDM4EGAABLM
SCHEMBL2527989 0.86 CREBBP (0.41) CA1CA2KDM4EGAABLM
SCHEMBL2525888 0.86 FFAR1 (0.45) CA1CA2KDM4EBLMADRB2

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
US-20230365501-A1 4-METHOXY-2-PHENETHYL ISOINDOLINE-1-ONE DERIVATIVE AND COMPOSITION FOR TREATING NEUROLOGICAL DISEASES, COMPRISING SAME CNG BIO CO., LTD. (KR) 2023-11-16 US disclosed
US-20230365501-A1 4-METHOXY-2-PHENETHYL ISOINDOLINE-1-ONE DERIVATIVE AND COMPOSITION FOR TREATING NEUROLOGICAL DISEASES, COMPRISING SAME CNG BIO CO., LTD. (KR) 2023-11-16 US disclosed
EP-4223742-A1 4-METHOXY-2-PHENETHYL ISOINDOLINE-1-ONE DERIVATIVE, AND COMPOSITION FOR TREATING NEUROLOGICAL DISORDERS, COMPRISING SAME CNG Bio Co., Ltd. (KR) 2023-08-09 EP disclosed
WO-2022065823-A1 4-METHOXY-2-PHENETHYL ISOINDOLINE-1-ONE DERIVATIVE, AND COMPOSITION FOR TREATING NEUROLOGICAL DISORDERS, COMPRISING SAME 씨엔지바이오 주식회사 2022-03-31 WO disclosed
US-10822349-B2 Macrocyclic purines for the treatment of viral infections Janssen Sciences Ireland Unlimited Company (IE) 2020-11-03 US disclosed
US-20190330234-A1 MACROCYCLIC PURINES FOR THE TREATMENT OF VIRAL INFECTIONS JANSSEN SCIENCES IRELAND UNLIMITED CO (IE) 2019-10-31 US disclosed
US-10280180-B2 Macrocyclic purines for the treatment of viral infections JANSSEN SCIENCES IRELAND UC (IE) 2019-05-07 US disclosed
EP-2872515-B1 MACROCYCLIC PURINES FOR THE TREATMENT OF VIRAL INFECTIONS JANSSEN SCIENCES IRELAND UC (IE) 2016-06-08 EP disclosed
US-20150299221-A1 MACROCYCLIC PURINES FOR THE TREATMENT OF VIRAL INFECTIONS Janssen Sciences Ireland Unlimited Company (IE) 2015-10-22 US disclosed
US-20150299221-A1 MACROCYCLIC PURINES FOR THE TREATMENT OF VIRAL INFECTIONS Janssen Sciences Ireland Unlimited Company (IE) 2015-10-22 US disclosed
EP-2010520-A1 FUSED PHENYL AMIDO HETEROCYCLIC COMPOUNDS FOR THE PREVENTION AND TREATMENT OF GLUCOKINASE-MEDIATED DISEASES Pfizer Products Incorporated (US) 2009-01-07 EP disclosed
US-20080280875-A1 FUSED PHENYL AMIDO HETEROCYCLIC COMPOUNDS PFIZER INC. 2008-11-13 US disclosed
US-20080280875-A1 FUSED PHENYL AMIDO HETEROCYCLIC COMPOUNDS PFIZER INC. 2008-11-13 US disclosed
US-20080280875-A1 FUSED PHENYL AMIDO HETEROCYCLIC COMPOUNDS PFIZER INC. 2008-11-13 US disclosed
US-20080132477-A1 Macrocyclic Compounds Useful as Bace Inhibitors NOVARTIS AG (CH) 2008-06-05 US disclosed
EP-1851208-A1 MACROCYCLIC COMPOUNDS USEFUL AS BACE INHIBITORS Novartis AG (CH) 2007-11-07 EP disclosed
WO-2007122482-A1 FUSED PHENYL AMIDO HETEROCYCLIC COMPOUNDS FOR THE PREVENTION AND TREATMENT OF GLUCOKINASE-MEDIATED DISEASES PFIZER PRODUCTS INC. (US) 2007-11-01 WO disclosed
WO-2007122482-A1 FUSED PHENYL AMIDO HETEROCYCLIC COMPOUNDS FOR THE PREVENTION AND TREATMENT OF GLUCOKINASE-MEDIATED DISEASES PFIZER PRODUCTS INC. (US) 2007-11-01 WO disclosed
WO-2006074950-A1 MACROCYCLIC COMPOUNDS USEFUL AS BACE INHIBITORS NOVARTIS AG (CH) 2006-07-20 WO disclosed
US-4143055-A ANTIINFLAMMATORY AGENTS, ANALGESICS, ANTIPYRETICS GRUPPO LEPETIT S.P.A. (IT) 1979-03-06 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 (7 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-20190330234-A1 MACROCYCLIC PURINES FOR THE TREATMENT OF VIRAL INFECTIONS PNP, HPRT1, UMPS CA1 4858/4885CA2 4544/4885KDM4E 2444/4885
US-20230365501-A1 4-METHOXY-2-PHENETHYL ISOINDOLINE-1-ONE DERIVATIVE AND COMPOSITION FOR TREATING NEUROLOGICAL DISEASES, COMPRISING SAME NGF, BDNF, NTRK2 CA1 3869/4885CA2 3616/4885KDM4E 874/4885
US-10280180-B2 Macrocyclic purines for the treatment of viral infections PNP, HPRT1, UMPS CA1 4858/4885CA2 4544/4885KDM4E 2444/4885
US-20080280875-A1 FUSED PHENYL AMIDO HETEROCYCLIC COMPOUNDS GCK, GCKR, HK1 CA1 1547/4885CA2 574/4885KDM4E 1790/4885
US-20150299221-A1 MACROCYCLIC PURINES FOR THE TREATMENT OF VIRAL INFECTIONS PNP, HPRT1, UMPS CA1 4858/4885CA2 4544/4885KDM4E 2444/4885
US-20080132477-A1 Macrocyclic Compounds Useful as Bace Inhibitors BACE1, BACE2, APP CA1 151/4885CA2 184/4885KDM4E 3337/4885
US-10822349-B2 Macrocyclic purines for the treatment of viral infections PNP, HPRT1, UMPS CA1 4858/4885CA2 4544/4885KDM4E 2444/4885

“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.