SCHEMBL4849644

SCHEMBL4849644

NC(=O)[CH]c1ccc(Cl)cc1Cl

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.57
MAPT P10636 7/20 0.54
ALDH1A1 P00352 2/20 0.54
KDM4E B2RXH2 2/20 0.54
L3MBTL1 Q9Y468 2/20 0.54
GAA P10253 1/20 0.54
GRIN2D O15399 2/20 0.53
GRIN3B O60391 2/20 0.53
GRIN1 Q05586 2/20 0.53
GRIN2A Q12879 2/20 0.53
GRIN2B Q13224 2/20 0.53
GRIN2C Q14957 2/20 0.53
GRIN3A Q8TCU5 2/20 0.53
NPSR1 Q6W5P4 1/20 0.53
SMN1; SMN2 Q16637 3/20 0.46
POLB P06746 2/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
TSHR P16473 1/20 0.45
CASP1 P29466 1/20 0.45

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
SCHEMBL8709511 0.82 MAPT (0.68) TDP1MAPTALDH1A1KDM4EL3MBTL1
SCHEMBL24530076 0.82 MAPT (0.68) TDP1MAPTALDH1A1KDM4EL3MBTL1
SCHEMBL14152648 0.80 ALDH1A1 (0.51) TDP1MAPTALDH1A1KDM4EL3MBTL1
SCHEMBL8262436 0.77 MAPT (0.59) TDP1MAPTALDH1A1KDM4EL3MBTL1
SCHEMBL29506761 0.74 SMN1; SMN2 (0.65) MAPTALDH1A1KDM4EL3MBTL1GAA
SCHEMBL325007 0.74 SMN1; SMN2 (0.65) MAPTALDH1A1KDM4EL3MBTL1GAA
SCHEMBL4639571 0.74 GRIN1 (0.50) MAPTALDH1A1L3MBTL1GRIN2DGRIN3B
SCHEMBL8272588 0.73 GABRA1 (0.61) TDP1MAPTALDH1A1KDM4EL3MBTL1
SCHEMBL8257981 0.73 GABRA1 (0.51) TDP1MAPTALDH1A1KDM4EL3MBTL1
SCHEMBL1407949 0.73 GABRA1 (0.51) TDP1MAPTALDH1A1KDM4EL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9409917-B2 Heterocyclic amide derivatives as P2X7 receptor antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2016-08-09 US claimed
EP-2804865-B1 HETEROCYCLIC AMIDE DERIVATIVES AS P2X7 RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2015-12-23 EP claimed
US-9133187-B2 Serine/threonine kinase inhibitors ARRAY BIOPHARMA INC. (US) 2015-09-15 US claimed
EP-2681215-B1 SERINE/THREONINE KINASE INHIBITORS ARRAY BIOPHARMA INC (US) 2015-04-22 EP claimed
US-20150025075-A1 HETEROCYCLIC AMIDE DERIVATIVES AS P2X7 RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD. (CH) 2015-01-22 US claimed
EP-2804865-A1 HETEROCYCLIC AMIDE DERIVATIVES AS P2X7 RECEPTOR ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2014-11-26 EP claimed
WO-2013108227-A1 HETEROCYCLIC AMIDE DERIVATIVES AS P2X7 RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2013-07-25 WO claimed
US-9409917-B2 Heterocyclic amide derivatives as P2X7 receptor antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2016-08-09 US disclosed
EP-2804865-B1 HETEROCYCLIC AMIDE DERIVATIVES AS P2X7 RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2015-12-23 EP disclosed
US-9133187-B2 Serine/threonine kinase inhibitors ARRAY BIOPHARMA INC. (US) 2015-09-15 US disclosed
EP-2681215-B1 SERINE/THREONINE KINASE INHIBITORS ARRAY BIOPHARMA INC (US) 2015-04-22 EP disclosed
US-20150025075-A1 HETEROCYCLIC AMIDE DERIVATIVES AS P2X7 RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD. (CH) 2015-01-22 US disclosed
EP-2804865-A1 HETEROCYCLIC AMIDE DERIVATIVES AS P2X7 RECEPTOR ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2014-11-26 EP disclosed
US-20130338140-A1 SERINE/THREONINE KINASE INHIBITORS GENETECH, INC. (US) 2013-12-19 US disclosed
WO-2013108227-A1 HETEROCYCLIC AMIDE DERIVATIVES AS P2X7 RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2013-07-25 WO disclosed
US-7462613-B2 Pyridazinone derivatives as pharmaceuticals and pharmaceutical compositions containing them SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2008-12-09 US disclosed
US-7309701-B2 Pyridazinone derivatives as pharmaceuticals and pharmaceutical compositions containing them SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-12-18 US disclosed
EP-1611121-B1 PYRIDAZINONE DERIVATIVES AS CDK2-INHIBITORS AVENTIS PHARMA SA (FR) 2007-08-08 EP disclosed
EP-1581505-B1 PYRIDAZINONE DERIVATIVES AS GSK-3BETA INHIBITORS SANOFI AVENTIS DEUTSCHLAND (DE) 2007-08-01 EP disclosed
US-20050026918-A1 Novel pyridazinone derivatives as pharmaceuticals and pharmaceutical compositions containing them SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2005-02-03 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 (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-20150025075-A1 HETEROCYCLIC AMIDE DERIVATIVES AS P2X7 RECEPTOR ANTAGONISTS P2RX7, P2RX1, P2RX3 TDP1 2203/4885MAPT 4194/4885ALDH1A1 1717/4885
US-20130338140-A1 SERINE/THREONINE KINASE INHIBITORS MAP3K1, MAP3K2, MAP3K20 TDP1 2086/4885MAPT 2616/4885ALDH1A1 3894/4885
US-20050026918-A1 Novel pyridazinone derivatives as pharmaceuticals and pharmaceutical compositions containing them C5, ADRA2C, ADRA1A TDP1 4165/4885MAPT 2858/4885ALDH1A1 370/4885

“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.