SCHEMBL64708

SCHEMBL64708

NC(=O)c1ccc(Cl)nn1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NNMT P40261 1/20 0.53
SIRT6 Q8N6T7 1/20 0.47
LMNA P02545 3/20 0.45
JUN P05412 1/20 0.44
NFKB1 P19838 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
ALDH1A1 P00352 2/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
KMT2A Q03164 2/20 0.37
PIM1 P11309 1/20 0.36
POLB P06746 1/20 0.36
F2 P00734 1/20 0.35
HTT P42858 1/20 0.35
NPC1 O15118 1/20 0.34
ADORA3 P0DMS8 1/20 0.34
TSHR P16473 1/20 0.34
MC4R P32245 1/20 0.34
ADRA1A P35348 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
SCHEMBL31753297 1.00 NNMT (0.53) NNMTSIRT6LMNAJUNNFKB1
Trifluoroacetic Acid SCHEMBL4114422 0.87 JUN (0.47) NNMTSIRT6LMNAJUNNFKB1
SCHEMBL3174330 0.85 NNMT (0.67) NNMTSIRT6LMNAALDH1A1MAPT
SCHEMBL2713824 0.79 JUN (0.40) NNMTSIRT6LMNAJUNNFKB1
SCHEMBL380569 0.79 JUN (0.45) LMNAJUNNFKB1NFKB2RELA
SCHEMBL724089 0.79 JUN (0.45) NNMTSIRT6LMNAJUNNFKB1
SCHEMBL24143947 0.77 ALDH1A1 (0.40) NNMTLMNAJUNNFKB1NFKB2
SCHEMBL1070960 0.77 JUN (0.44) NNMTLMNAJUNNFKB1NFKB2
SCHEMBL8600253 0.77 P2RX7 (0.52) LMNAJUNNFKB1NFKB2RELA
SCHEMBL31306809 0.77 P2RX7 (0.52) LMNAJUNNFKB1NFKB2RELA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2244706-B1 GLUCOKINASE ACTIVATORS MERCK PATENT GMBH (DE) 2016-04-06 EP claimed
EP-2074089-B1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2013-09-18 EP claimed
US-8354444-B2 Substituted pyrrolidine-2-carboxamides HOFFMANN-LA ROCHE INC. (US) 2013-01-15 US claimed
EP-2340021-B1 SUBSTITUTED PYRROLIDINE-2-CARBOXAMIDES HOFFMANN LA ROCHE (CH) 2012-11-07 EP claimed
US-8222248-B2 Organic compounds NOVARTIS AG (CH) 2012-07-17 US claimed
EP-1648874-B1 PIPERAZINE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC (CA) 2011-10-05 EP claimed
EP-1846035-B1 COMBINATION THERAPY XENON PHARMACEUTICALS INC (CA) 2011-09-21 EP claimed
CN-102159207-A Substituted pyrrolidine-2-carboxamides HOFFMANN LA ROCHE 2011-08-17 CN claimed
CN-101959515-A Glucokinase activators MERCK PATENT GMBH 2011-01-26 CN claimed
EP-2244706-A1 GLUCOKINASE ACTIVATORS Merck Patent GmbH (DE) 2010-11-03 EP claimed
WO-2007005763-A2 COMBINATION OF A RENIN INHIBITOR AND AN INSULIN SECRETION ENHANCER OR AN INSULIN SENSITIZER NOVARTIS AG (CH) 2007-01-11 WO claimed
WO-2006086445-A2 COMBINATION THERAPY XENON PHARMACEUTICALS INC. (CA) 2006-08-17 WO claimed
EP-1654260-A2 6-MENBERED HETEROARYL COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS Pfizer Products Inc. (US) 2006-05-10 EP claimed
EP-1648874-A2 PIPERAZINE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2006-04-26 EP claimed
US-20050107381-A1 6-membered heteroaryl compounds for the treatment of neurodegenerative disorders PFIZER, INC. 2005-05-19 US claimed
US-20050065143-A1 Pyridazine derivatives and their use as therapeutic agents XENON PHARMACEUTICALS INC. (CA) 2005-03-24 US claimed
WO-2005011601-A2 6-MENBERED HETEROARYL COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS PFIZER PRODUCTS, INC. (US) 2005-02-10 WO claimed
WO-2005011655-A2 PYRIDAZINE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2005-02-10 WO claimed
US-20040110778-A1 Heterocyclic compounds as ligands of the GABAA receptor YOHANNES DANIEL (US) 2004-06-10 US claimed
US-20030105081-A1 Heterocyclic compounds as ligands of the GABAA receptor PFIZER INC 2003-06-05 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 (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-20030105081-A1 Heterocyclic compounds as ligands of the GABAA receptor GABRB1, GABRP, GABRA1 NNMT 1406/4885SIRT6 2421/4885LMNA 3137/4885
US-20050065143-A1 Pyridazine derivatives and their use as therapeutic agents PRDX5, SNRPD3, SNRPD2 NNMT 1951/4885SIRT6 774/4885LMNA 73/4885
US-20050107381-A1 6-membered heteroaryl compounds for the treatment of neurodegenerative disorders APP, BACE1, SNCA NNMT 559/4885SIRT6 750/4885LMNA 1292/4885
US-20040110778-A1 Heterocyclic compounds as ligands of the GABAA receptor GABRB1, GABRP, GABRA1 NNMT 1406/4885SIRT6 2421/4885LMNA 3137/4885

“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.