SCHEMBL418658

SCHEMBL418658

C=CCN(CC=C)c1ccncc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHKA P35790 2/20 0.46
CHRM5 P08912 1/20 0.46
SLC6A2 P23975 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.40
MAPT P10636 3/20 0.36
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
ALOX15 P16050 1/20 0.36
CASP1 P29466 1/20 0.36
RAB9A P51151 1/20 0.36
HBB P68871 1/20 0.36
KMT2A Q03164 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
CA1 P00915 1/20 0.33
GAA P10253 1/20 0.33
CA9 Q16790 1/20 0.33
LMNA P02545 1/20 0.32
CYP1A2 P05177 1/20 0.32

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
SCHEMBL11040696 0.88 MAPT (0.53) CHKACHRM5SLC6A2SMN1; SMN2MAPT
SCHEMBL851567 0.83 CHKA (0.50) CHKASMN1; SMN2ALOX15ALDH1A1GAA
SCHEMBL4075155 0.78 CHRM5 (0.48) CHKACHRM5SLC6A2SMN1; SMN2MAPT
SCHEMBL83762 0.76 CHKA (0.46) CHKASMN1; SMN2MAPTMEN1KMT2A
SCHEMBL6466250 0.76 CHKA (0.46) CHKASMN1; SMN2MAPTKDM4EALDH1A1
SCHEMBL7162904 0.76 CHKA (0.46) CHKASMN1; SMN2MAPTKDM4EALDH1A1
SCHEMBL11032897 0.76 CHKA (0.46) CHKASMN1; SMN2MAPTMEN1KMT2A
SCHEMBL6692403 0.76 CHKA (0.46) CHKASMN1; SMN2MAPTALDH1A1HPGD
SCHEMBL9763376 0.75 KCNA5 (0.39) CHKASLC6A2SMN1; SMN2MAPTALDH1A1
SCHEMBL5611650 0.74 ALDH1A1 (0.52) CHKASMN1; SMN2MEN1ALOX15KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11583842-B2 Zwitterionic catalysts for (trans)esterification: application in fluoroindole-derivatives and biodiesel synthesis THE CHINESE UNIVERSITY OF HONG KONG (CN) 2023-02-21 US claimed
US-20210023539-A1 ZWITTERIONIC CATALYSTS FOR (TRANS)ESTERIFICATION: APPLICATION IN FLUOROINDOLE-DERIVATIVES AND BIODIESEL SYNTHESIS THE CHINESE UNIVERSITY OF HONG KONG (CN) 2021-01-28 US claimed
EP-2992032-B1 PROCESS FOR PREPARING POLYCARBONATES BY POLYMERIZATION OF FIVE-MEMBERED-RING CYCLIC CARBONATES TOTAL RES & TECHNOLOGY FELUY (BE) 2017-12-06 EP claimed
EP-2730563-B1 Process for the preparation of MDI dimer EMS PATENT AG (CH) 2017-01-11 EP claimed
US-20160068630-A1 Process for Preparing Polycarbonates by Polymerization of Five-Membered-Ring Cyclic Carbonates TOTAL RESEARCH & TECHNOLOGY FELUY (BE) 2016-03-10 US claimed
EP-2992032-A1 PROCESS FOR PREPARING POLYCARBONATES BY POLYMERIZATION OF FIVE-MEMBERED-RING CYCLIC CARBONATES Total Research & Technology Feluy (BE) 2016-03-09 EP claimed
CN-103254213-B Preparation method of maytenin-like ester and composition used in method BIO THERA SOLUTIONS LTD 2015-02-25 CN claimed
WO-2014177558-A1 PROCESS FOR PREPARING POLYCARBONATES BY POLYMERIZATION OF FIVE-MEMBERED-RING CYCLIC CARBONATES TOTAL RESEARCH & TECHNOLOGY FELUY (BE) 2014-11-06 WO claimed
EP-2611814-B1 METHOD FOR PRODUCING DITHIIN-TETRACARBOXIMIDES BAYER IP GMBH (DE) 2014-09-24 EP claimed
US-20140135458-A1 METHOD FOR THE PRODUCTION OF MDI DIMER EMS-PATENT AG (CH) 2014-05-15 US claimed
EP-0473435-A1 Mono-N,N-dimethyl-4-aminopyridinium sn-glycerol-3-phosphate, production and use thereof in preparation of phosphatidic acids GENZYME CORPORATION (US) 1992-03-04 EP claimed
WO-1991010714-A1 AMINOPYRIDYL SILANES AND SILOXANES INDIANA UNIVERSITY FOUNDATION (US) 1991-07-25 WO claimed
EP-0349204-A2 Use and regeneration of reagents using coupled reactions and permselective barriers BEND RESEARCH, INC. (US) 1990-01-03 EP claimed
EP-0213286-B1 PROCESS FOR THE FABRICATION OF AROMATIC POLYAMIDES HÜLS AKTIENGESELLSCHAFT (DE) 1989-08-23 EP claimed
EP-0237722-B1 PROCESS FOR PRODUCING THERMOPLASTICALLY PROCESSABLE AROMATIC POLYAMIDES HÜLS AKTIENGESELLSCHAFT (DE) 1989-08-09 EP claimed
EP-0231433-B1 PROCESS FOR THE PREPARATION OF THERMOPLASTICALLY PROCESSABLE AROMATIC POLYAMIDES CONTAINING CHEMICALLY INTEGRATED ETHER AND SULFONYL GROUPS HÜLS AKTIENGESELLSCHAFT (DE) 1989-08-02 EP claimed
EP-0129901-B1 LIGHT-SENSITIVE WATER-DEVELOPABLE REGISTRATION MATERIAL FOR PRODUCING PRINTING OR RELIEF FORMS, AND RESISTS BASF Aktiengesellschaft (DE) 1987-09-09 EP claimed
EP-0121112-B1 2'-DEOXY-3-PHOSPHONYLMETHYL NUCLEOSIDES AND METHOD FOR THEIR PREPARATION Gesellschaft für Biotechnologische Forschung mbH (GBF) (DE) 1987-05-13 EP claimed
US-4661598-A New monomer and polymers containing 4-aminopyridine THE UNIVERSITY OF SOUTHERN MISSISSIPPI (US) 1987-04-28 US claimed
US-4591625-A Monomer and polymers containing 4-aminopyridine UNIVERSITY OF SOUTHERN MISSISSIPPI (US) 1986-05-27 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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-20210023539-A1 ZWITTERIONIC CATALYSTS FOR (TRANS)ESTERIFICATION: APPLICATION IN FLUOROINDOLE-DERIVATIVES AND BIODIESEL SYNTHESIS INMT, AADAT, BCHE CHKA 1728/4885CHRM5 345/4885SLC6A2 1527/4885
US-20160068630-A1 Process for Preparing Polycarbonates by Polymerization of Five-Membered-Ring Cyclic Carbonates CWC15, DKC1, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 CHKA 2508/4885CHRM5 2539/4885SLC6A2 4773/4885
US-11583842-B2 Zwitterionic catalysts for (trans)esterification: application in fluoroindole-derivatives and biodiesel synthesis INMT, AADAT, BCHE CHKA 1728/4885CHRM5 345/4885SLC6A2 1527/4885

“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.