SCHEMBL4766465

SCHEMBL4766465

Nc1ccc(C(=O)N2CCOCC2)c(Cl)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.61
TSHR P16473 1/20 0.61
KDM4E B2RXH2 1/20 0.60
HTT P42858 1/20 0.57
CA12 O43570 1/20 0.57
CA1 P00915 1/20 0.57
CA2 P00918 1/20 0.57
CA3 P07451 1/20 0.57
CA4 P22748 1/20 0.57
CA6 P23280 1/20 0.57
CA5A P35218 1/20 0.57
CA7 P43166 1/20 0.57
CA9 Q16790 1/20 0.57
CA13 Q8N1Q1 1/20 0.57
CA14 Q9ULX7 1/20 0.57
CA5B Q9Y2D0 1/20 0.57
HSP90AA1 P07900 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
GAA P10253 1/20 0.54

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
SCHEMBL34473694 0.94 TSHR (0.56) MAPTTSHRKDM4EHTTCA12
SCHEMBL15597416 0.88 KDM4E (0.73) MAPTTSHRKDM4EHTTCA12
SCHEMBL3426843 0.86 HPGD (0.55) TSHRKDM4ECA12CA1CA2
SCHEMBL2950806 0.84 HPGD (0.58) TSHRKDM4ECA12CA1CA2
SCHEMBL9759889 0.84 KDM4E (0.51) MAPTTSHRKDM4EHTTCA12
SCHEMBL3826882 0.84 HPGD (0.58) TSHRKDM4ECA12CA1CA2
SCHEMBL9792231 0.84 KDM4E (0.77) MAPTTSHRKDM4EHTTCA12
SCHEMBL22405367 0.83 P2RX7 (0.45) MAPTTSHRL3MBTL1GAAHPGD
SCHEMBL2197966 0.82 HPGD (0.63) MAPTTSHRKDM4EHSP90AA1GAA
SCHEMBL3400224 0.82 HPGD (0.55) MAPTTSHRKDM4EHTTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200385406-A1 SUBSTITUTED HETEROCYCLIC-PYRIDINONES AS HIV-1 NEF-HCK INHIBITORS SOUTHERN RESEARCH INSTITUTE 2020-12-10 US disclosed
EP-2655357-B1 INDAZOLYL TRIAZOLE DERIVATIVES AS IRAK INHIBITORS MERCK SERONO SA (CH) 2016-06-22 EP disclosed
US-9073892-B2 Indazolyl triazol derivatives MERCK SERONO S.A. (CH) 2015-07-07 US disclosed
EP-2655357-A1 INDAZOLYL TRIAZOLE DERIVATIVES AS IRAK INHIBITORS Merck Serono S.A. (CH) 2013-10-30 EP disclosed
US-20130274241-A1 INDAZOLYL TRIAZOL DERIVATIVES MERCK SERONO S.A. - INTELLECTUAL PROPERTY (CH) 2013-10-17 US disclosed
WO-2012084704-A1 INDAZOLYL TRIAZOLE DERIVATIVES AS IRAK INHIBITORS MERCK SERONO S.A. (CH) 2012-06-28 WO disclosed
EP-1948659-A1 PYRROLOPYRIMIDINE DERIVATIVES AS SYK INHIBITORS GLAXO GROUP LIMITED (GB) 2008-07-30 EP disclosed
WO-2007042299-A1 PYRROLOPYRIMIDINE DERIVATIVES AS SYK INHIBITORS GLAXO GROUP LIMITED (GB) 2007-04-19 WO disclosed
WO-2007042299-A1 PYRROLOPYRIMIDINE DERIVATIVES AS SYK INHIBITORS GLAXO GROUP LIMITED (GB) 2007-04-19 WO 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 (2 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-20200385406-A1 SUBSTITUTED HETEROCYCLIC-PYRIDINONES AS HIV-1 NEF-HCK INHIBITORS HCK, PDXK, NADK MAPT 1498/4885TSHR 4511/4885KDM4E 2949/4885
US-20130274241-A1 INDAZOLYL TRIAZOL DERIVATIVES NFATC1, IL5, CD4 MAPT 2022/4885TSHR 1212/4885KDM4E 3415/4885

“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.