SCHEMBL2260845

SCHEMBL2260845

N#CCC(=O)NCc1ccc(Cl)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.70
KMT2A Q03164 5/20 0.59
MEN1 O00255 4/20 0.59
CYP2C9 P11712 1/20 0.56
CYP2C19 P33261 1/20 0.56
HPGD P15428 3/20 0.55
ALDH1A1 P00352 2/20 0.55
NPC1 O15118 2/20 0.55
RAB9A P51151 2/20 0.55
GAA P10253 1/20 0.54
POLB P06746 1/20 0.50
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA9 Q16790 1/20 0.50
PKM P14618 1/20 0.49
ERCC1 P07992 1/20 0.49
ERCC4 Q92889 1/20 0.49
HSP90AA1 P07900 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL7676757 0.87 MEN1 (0.62) MCL1KMT2AMEN1CYP2C9CYP2C19
SCHEMBL29249541 0.84 MCL1 (0.72) MCL1KMT2AMEN1GAAHSP90AA1
SCHEMBL11302550 0.83 HPGD (0.60) MCL1KMT2AMEN1CYP2C9CYP2C19
SCHEMBL8835177 0.83 LMNA (0.57) KMT2AMEN1CYP2C19HPGDNPC1
SCHEMBL2268566 0.83 MCL1 (0.70) MCL1KMT2AHPGDALDH1A1POLB
SCHEMBL2264964 0.83 MCL1 (0.70) MCL1KMT2AHPGDALDH1A1RAB9A
SCHEMBL12389322 0.83 MCL1 (0.70) MCL1KMT2AMEN1HPGDALDH1A1
SCHEMBL2263200 0.83 MCL1 (0.70) MCL1KMT2AMEN1HPGDALDH1A1
SCHEMBL654148 0.82 MCL1 (1.00) MCL1KMT2AMEN1HPGDALDH1A1
SCHEMBL2263747 0.82 MCL1 (0.64) MCL1KMT2AMEN1HPGDALDH1A1

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020249821-A1 NOVEL ARGINASE INHIBITORS RIJKSUNIVERSITEIT GRONINGEN (NL) 2020-12-17 WO disclosed
EP-2104670-B3 NOVEL TRIAZINEDIONE DERIVATIVES AS GABA-B RECEPTOR MODULATORS ADDEX PHARMACEUTICALS SA (CH) 2016-09-21 EP disclosed
EP-2104670-B1 NOVEL TRIAZINEDIONE DERIVATIVES AS GABA-B RECEPTOR MODULATORS ADDEX PHARMACEUTICALS SA (CH) 2016-02-17 EP disclosed
US-20140371198-A1 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF METABOLIC AND INFLAMMATORY DISEASES GALAPAGOS NV (BE) 2014-12-18 US disclosed
US-20140371223-A1 NOVEL TRIAZINEDIONE DERIVATIVES AS GABAB RECEPTOR MODULATORS ADDEX PHARMA S.A. (CH) 2014-12-18 US disclosed
US-8779129-B2 Triazinedione derivatives as GABAB receptor modulators ADDEX PHARMA S.A. (CH) 2014-07-15 US disclosed
US-8759334-B2 Compounds useful for the treatment of metabolic and inflammatory diseases GALAPAGOS NV (BE) 2014-06-24 US disclosed
EP-2665704-A1 AZETIDINE DERIVATIVES USEFUL FOR THE TREATMENT OF METABOLIC AND INFLAMMATORY DISEASES Galapagos NV (BE) 2013-11-27 EP disclosed
US-20130303515-A1 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF METABOLIC AND INFLAMMATORY DISEASES GALAPAGOS NV (BE) 2013-11-14 US disclosed
EP-2662366-A1 Novel triazinedione derivatives as GABA-B receptor modulators ADDEX Pharma S.A. (CH) 2013-11-13 EP disclosed
US-20130123262-A1 NOVEL TRIAZINEDIONE DERIVATIVES AS GABAB RECEPTOR MODULATORS ADDEX PHARMA S.A. (CH) 2013-05-16 US disclosed
US-8344138-B2 Triazinedione derivatives as GABAB receptor modulators ADDEX PHARMA S.A. (CH) 2013-01-01 US disclosed
WO-2012098033-A1 AZETIDINE DERIVATIVES USEFUL FOR THE TREATMENT OF METABOLIC AND INFLAMMATORY DISEASES GALAPAGOS NV (BE) 2012-07-26 WO disclosed
US-7998986-B2 Heterocyclic compounds, in particular N-substituted pyridones for modulating the activity of nuclear receptors EXELIXIS PATENT COMPANY LLC (US) 2011-08-16 US disclosed
US-7998986-B2 Heterocyclic compounds, in particular N-substituted pyridones for modulating the activity of nuclear receptors EXELIXIS PATENT COMPANY LLC (US) 2011-08-16 US disclosed
US-20100004246-A1 NOVEL TRIAZINEDIONE DERIVATIVES AS GABAB RECEPTOR MODULATORS ADDEX PHARMA SA (CH) 2010-01-07 US disclosed
EP-2104670-A2 NOVEL TRIAZINEDIONE DERIVATIVES AS GABA-B RECEPTOR MODULATORS Addex Pharma SA (CH) 2009-09-30 EP disclosed
WO-2008056257-A2 NOVEL TRIAZINEDIONE DERIVATIVES AS GABA-B RECEPTOR MODULATORS ADDEX PHARMA S.A (CH) 2008-05-15 WO disclosed
US-20030181420-A1 Heterocyclic compounds, in particular N-substituted pyridones for modulating the activity of nuclear receptors EXELIXIS, INC. 2003-09-25 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 (6 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-20100004246-A1 NOVEL TRIAZINEDIONE DERIVATIVES AS GABAB RECEPTOR MODULATORS CHRNA5, GABRA5, GABRB3 MCL1 3850/4885KMT2A 4282/4885MEN1 4868/4885
US-20030181420-A1 Heterocyclic compounds, in particular N-substituted pyridones for modulating the activity of nuclear receptors NR1H2, NR1H3, NCOA1 MCL1 3083/4885KMT2A 1794/4885MEN1 4405/4885
US-20140371223-A1 NOVEL TRIAZINEDIONE DERIVATIVES AS GABAB RECEPTOR MODULATORS CHRNA5, GABRA5, GABRB3 MCL1 3850/4885KMT2A 4282/4885MEN1 4868/4885
US-20140371198-A1 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF METABOLIC AND INFLAMMATORY DISEASES GOT2, GPR119, PC MCL1 1849/4885KMT2A 3849/4885MEN1 3061/4885
US-20130303515-A1 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF METABOLIC AND INFLAMMATORY DISEASES GOT2, GPR119, PC MCL1 1849/4885KMT2A 3849/4885MEN1 3061/4885
US-20130123262-A1 NOVEL TRIAZINEDIONE DERIVATIVES AS GABAB RECEPTOR MODULATORS CHRNA5, GABRA5, GABRB3 MCL1 3850/4885KMT2A 4282/4885MEN1 4868/4885

“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.