SCHEMBL5863593

SCHEMBL5863593

c1ccc(CNC2CCCCC2)nc1

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.55
RECQL P46063 1/20 0.55
MAOA P21397 2/20 0.53
MAOB P27338 2/20 0.53
KDM1A O60341 1/20 0.53
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
RAB9A P51151 3/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
NPC1 O15118 2/20 0.52
CXCR4 P61073 1/20 0.48
ALDH1A1 P00352 3/20 0.47
KDM4E B2RXH2 3/20 0.47
PKM P14618 1/20 0.47
HRH3 Q9Y5N1 1/20 0.47
USP2 O75604 1/20 0.46
GAA P10253 2/20 0.46
GFER P55789 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45

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
SCHEMBL8778016 1.00 HPGD (0.55) HPGDRECQLMAOAMAOBKDM1A
SCHEMBL14862724 0.98 MAOA (0.54) HPGDRECQLMAOAMAOBKDM1A
Methyl Alcohol SCHEMBL28270513 0.97 HPGD (0.56) HPGDRECQLMAOAMAOBKDM1A
Hydrochloric Acid SCHEMBL16464069 0.97 MAOA (0.53) HPGDRECQLMAOAMAOBKDM1A
SCHEMBL31706160 0.95 MAOA (0.54) HPGDRECQLMAOAMAOBKDM1A
SCHEMBL662711 0.91 MAOA (0.57) HPGDRECQLMAOAMAOBKDM1A
Hydrochloric Acid SCHEMBL4799055 0.89 MAOA (0.55) HPGDRECQLMAOAMAOBKDM1A
SCHEMBL13280435 0.88 MAOA (0.55) HPGDRECQLMAOAMAOBKDM1A
SCHEMBL13276199 0.84 MAOA (0.62) HPGDRECQLMAOAMAOBKDM1A
SCHEMBL15456460 0.84 MAOA (0.62) HPGDRECQLMAOAMAOBKDM1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109293686-B Containing CuⅡSecondary coordination compound, preparation method thereof and application thereof as urease inhibitor 辽宁大学 2020-08-25 CN claimed
CN-109293686-A One kind containing CuⅡSecondary complex and preparation method thereof and application as urease inhibitor 辽宁大学 2019-02-01 CN claimed
US-20210238139-A1 MODULATORS OF TRYPTOPHAN CATABOLISM E-THERAPEUTICS PLC (GB) 2021-08-05 US disclosed
EP-3529289-B1 PROCESS FOR PREPARING CONJUGATED DIENE (CO)POLYMERS IN THE PRESENCE OF A CATALYTIC SYSTEM COMPRISING A PYRIDYL IRON (III) COMPLEX VERSALIS SPA (IT) 2020-12-02 EP disclosed
US-10793653-B2 Process for preparing conjugated diene (co)polymers in the presence of a catalytic system comprising a pyridyl iron (III) complex VERSALIS S.P.A. (IT) 2020-10-06 US disclosed
CN-109293686-B Containing CuⅡSecondary coordination compound, preparation method thereof and application thereof as urease inhibitor 辽宁大学 2020-08-25 CN disclosed
US-20190270832-A1 PROCESS FOR PREPARING CONJUGATED DIENE (CO)POLYMERS IN THE PRESENCE OF A CATALYTIC SYSTEM COMPRISING A PYRIDYL IRON (III) COMPLEX VERSALIS S.P.A. (IT) 2019-09-05 US disclosed
CN-109293686-A One kind containing CuⅡSecondary complex and preparation method thereof and application as urease inhibitor 辽宁大学 2019-02-01 CN disclosed
WO-2018073795-A1 PROCESS FOR PREPARING CONJUGATED DIENE (CO)POLYMERS IN THE PRESENCE OF A CATALYTIC SYSTEM COMPRISING A PYRIDYL IRON (III) COMPLEX VERSALIS S.P.A. (IT) 2018-04-26 WO disclosed
CN-104927742-B Polyurethane wood structure glue and preparation method thereof 上海东和胶粘剂有限公司 2017-05-17 CN disclosed
CN-104927742-A Polyurethane wood structure glue and preparation method thereof SHANGHAI DONGHE ADHESIVE CO LTD 2015-09-23 CN disclosed
EP-1746112-A1 Polymerisation catalyst system based on monooxime ligands TOTAL PETROCHEMICALS RESEARCH FELUY (BE) 2007-01-24 EP disclosed
US-7030120-B2 Nitrogen-containing heterocyclic compounds and benzamide compounds and drugs containing the same MEIJI SEIKA KAISHA, LTD. (JP) 2006-04-18 US disclosed
US-20040224959-A1 Nitrogen-containing heterocyclic compounds and benzamide compounds and drugs containing the same OHKURA NAOTO (JP) 2004-11-11 US disclosed
US-6777414-B1 INHIBITORS OF TRIGLYCERIDE BIOSYNTHESIS AND SECRETION OF APOLIPOPROTEIN B-CONTAINING LIPOPROTEINS; ARTERIOSCLEROTIC DISEASES; HYPERLIPIDEMIA MEIJI SEIKA KAISHA, LTD. (JP) 2004-08-17 US disclosed
EP-1180514-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS AND BENAMIDE COMPOUNDS AND DRUGS CONTAINING THE SAME MEIJI SEIKA KAISHA LTD. (JP) 2002-02-20 EP disclosed
US-4112100-A INCREASING THE ENDOGENOUS PRODUCTION OF PROSTAGLANDINS THE UPJOHN COMPANY (US) 1978-09-05 US disclosed
US-4097481-A ANTIARRHYTHMIC AGENTS RIKER LABORATORIES, INC. (US) 1978-06-27 US disclosed
US-4069224-A N-(PYRIDYLALKYL)BENZAMIDES, IMPROVE PRODUCTION OF PROSTAGLANDINS IN MAMMALS THE UPJOHN COMPANY (US) 1978-01-17 US disclosed
US-4008326-A INCREASING PRODUCTION OF PROSTAGLANDINS THE UPJOHN COMPANY (US) 1977-02-15 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 (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-20210238139-A1 MODULATORS OF TRYPTOPHAN CATABOLISM TPH1, KYNU, TPH2 HPGD 1286/4885RECQL 938/4885MAOA 25/4885
US-20190270832-A1 PROCESS FOR PREPARING CONJUGATED DIENE (CO)POLYMERS IN THE PRESENCE OF A CATALYTIC SYSTEM COMPRISING A PYRIDYL IRON (III) COMPLEX AOC3, C5, AOC2 HPGD 4250/4885RECQL 363/4885MAOA 33/4885
US-20040224959-A1 Nitrogen-containing heterocyclic compounds and benzamide compounds and drugs containing the same APOB, NCEH1, LIPC HPGD 775/4885RECQL 1270/4885MAOA 132/4885
US-10793653-B2 Process for preparing conjugated diene (co)polymers in the presence of a catalytic system comprising a pyridyl iron (III) complex AOC3, C5, AOC2 HPGD 4250/4885RECQL 363/4885MAOA 33/4885

“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.