SCHEMBL245183

SCHEMBL245183

c1cnn(-c2ncco2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.39
ALDH1A1 P00352 3/20 0.39
LMNA P02545 3/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
G6PD P11413 1/20 0.39
NOTUM Q6P988 1/20 0.38
TDO2 P48775 1/20 0.38
HTT P42858 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
ADORA2A P29274 3/20 0.36
ADORA1 P30542 2/20 0.36
MAPK1 P28482 2/20 0.35
NPC1 O15118 2/20 0.35
KDM4A O75164 1/20 0.34
KDM4B O94953 1/20 0.34
KDM5C P41229 1/20 0.34
KDM5B Q9UGL1 1/20 0.34

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
SCHEMBL1169416 0.71 MAPK1 (0.38) KDM4EKMT2AMEN1MAPK1NPC1
SCHEMBL4728473 0.69 ALDH1A1 (0.38) KDM4EALDH1A1LMNAKMT2AMEN1
SCHEMBL30061301 0.67
SCHEMBL30641570 0.67 KDM4E (0.40) KDM4EALDH1A1LMNAKMT2AMEN1
SCHEMBL7093049 0.67 ADORA2A (0.45) KDM4EALDH1A1LMNAKMT2AMEN1
SCHEMBL32810 0.66 KDM4E (0.46) KDM4EALDH1A1LMNAKMT2AMEN1
SCHEMBL9279667 0.64 KDM4E (0.37) KDM4EALDH1A1LMNAKMT2AMEN1
SCHEMBL952863 0.64 NOTUM (0.48) KDM4EALDH1A1LMNAKMT2AMEN1
SCHEMBL27869303 0.64
SCHEMBL30297917 0.63 ALDH1A1 (0.40) KDM4EALDH1A1LMNAKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11584740-B2 Microbiocidal quinoline (thio)carboxamide derivatives SYNGENTA PARTICIPATIONS AG (CH) 2023-02-21 US claimed
US-20180277777-A1 Tridentate Cyclometalated Metal Complexes with Six-Membered Coordination Rings ARIZONA BOARD OF REGENTS ON BEHALF OF ARIZONA STATE UNIVERSITY 2018-09-27 US claimed
US-20170125708-A1 Tridentate Cyclometalated Metal Complexes with Six-Membered Coordination Rings ARIZONA BOARD OF REGENTS ON BEHALF OF ARIZONA STATE UNIVERSITY 2017-05-04 US claimed
US-9562038-B2 Bifunctional molecules with antibody-recruiting and entry inhibitory activity against the human immunodeficiency virus YALE UNIVERSITY (US) 2017-02-07 US claimed
US-20160028029-A1 Tridentate Cyclometalated Metal Complexes with Six-Membered Coordination Rings ARIZONA BOARD OF REGENTS ON BEHALF OF ARIZONA STATE UNIVERSITY 2016-01-28 US claimed
CN-103224488-A Heterocyclic compound or salt thereof OTSUKA PHARMA CO LTD 2013-07-31 CN claimed
CN-103221397-A Novel compositions and methods for controlling nematode pests MONSANTO TECHNOLOGY LLC 2013-07-24 CN claimed
US-8492362-B1 5-(E)-Bromovinyl uracil analogues and related pyrimidine nucleosides as anti-varicella zoster virus agents and methods of use UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) 2013-07-23 US claimed
CN-103068828-A Triazolopyrazine derivatives MERCK PATENT GMBH 2013-04-24 CN claimed
CN-103052640-A Furopyridine derivatives MERCK PATENT GMBH 2013-04-17 CN claimed
CN-1283191-A Benzylidene pyrazolones, preparation and use thereof BASF AG (DE) 2001-02-07 CN claimed
CN-1249749-A Phthalazinones BYK GULDEN LOMBERC CHEM FAB GM (DE) 2000-04-05 CN claimed
CN-1145075-A Antagonist's of endothelin receptors JAPAT LTD (CH) 1997-03-12 CN claimed
CN-1112125-A Acyloxyhexanoic acid derivatives CIBA GEIGY AG (CH) 1995-11-22 CN claimed
CN-1108955-A The use of compositions for combating tumour diseases CIBA GEIGY AG (CH) 1995-09-27 CN claimed
CN-1093701-A Antiretroviral hydrazine derivative CIBA GEIGY AG (CH) 1994-10-19 CN claimed
CN-1089269-A Novel 5-amino-4-hydroxy caproic acid derivative as therapeutical agent CIBA GEIGY AG (CH) 1994-07-13 CN claimed
US-5215983-A Useful for treatment of infectious diseases in a human as well as animal FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-06-01 US claimed
EP-0281098-B1 BENZODIOXOLE DERIVATIVES, COMPOSITIONS COMPRISING THE SAME, AND THE USE OF THE SAME FOR THE MANUFACTURE OF MEDICAMENTS Eisai Co., Ltd. (JP) 1992-11-25 EP claimed
EP-0424832-A2 Carbapenem compounds FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1991-05-02 EP 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 (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-20160028029-A1 Tridentate Cyclometalated Metal Complexes with Six-Membered Coordination Rings CRY1, SOD1, INTS6 KDM4E 3082/4885ALDH1A1 1483/4885LMNA 4422/4885
US-20180277777-A1 Tridentate Cyclometalated Metal Complexes with Six-Membered Coordination Rings CRY1, SOD1, INTS6 KDM4E 3082/4885ALDH1A1 1483/4885LMNA 4422/4885
US-20170125708-A1 Tridentate Cyclometalated Metal Complexes with Six-Membered Coordination Rings CRY1, SOD1, INTS6 KDM4E 3082/4885ALDH1A1 1483/4885LMNA 4422/4885
US-11584740-B2 Microbiocidal quinoline (thio)carboxamide derivatives IFNG, TLR1, IDO1 KDM4E 1828/4885ALDH1A1 1059/4885LMNA 4449/4885

“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.