SCHEMBL5137124

SCHEMBL5137124

O=C1NNC(=O)C1(Cl)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 3/20 0.43
BLM P54132 2/20 0.43
PMP22 Q01453 2/20 0.43
CACNA1F O60840 2/20 0.43
CACNA1D Q01668 2/20 0.43
CACNA1S Q13698 2/20 0.43
CACNA1C Q13936 2/20 0.43
MAPT P10636 2/20 0.43
ALDH1A1 P00352 1/20 0.43
HTR2A P28223 1/20 0.43
HRH1 P35367 1/20 0.43
SCN1A P35498 1/20 0.43
SCN4A P35499 1/20 0.43
KCNH2 Q12809 1/20 0.43
SCN5A Q14524 1/20 0.43
SCN2A Q99250 1/20 0.43
SCN3A Q9NY46 1/20 0.43
MMP2 P08253 1/20 0.43
MMP9 P14780 1/20 0.43
LMNA P02545 3/20 0.41

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
SCHEMBL5139052 0.71 MEN1 (0.45) CYP2C9BLMPMP22CACNA1FCACNA1D
SCHEMBL7890272 0.71 CYP2C9 (0.39) CYP2C9BLMPMP22CACNA1FCACNA1D
SCHEMBL556387 0.71 MAPT (0.36) CYP2C9BLMPMP22CACNA1FCACNA1D
SCHEMBL16865387 0.69 LMNA (0.41) MAPTALDH1A1LMNAKMT2AMEN1
SCHEMBL11453271 0.69 CFTR (0.37) CACNA1FCACNA1DCACNA1SCACNA1CLMNA
SCHEMBL5138601 0.68 MEN1 (0.42) CYP2C9MAPTALDH1A1LMNAKMT2A
SCHEMBL11470054 0.67 CFTR (0.46) CYP2C9BLMMAPTKCNH2LMNA
SCHEMBL6979397 0.66 CFTR (0.44) CYP2C9BLMPMP22CACNA1FCACNA1D
SCHEMBL10712315 0.66 CYP2C9 (0.38) CYP2C9BLMPMP22CACNA1FCACNA1D
SCHEMBL11099941 0.64 S100A4 (0.46) CYP2C9BLMMAPTALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080200499-A1 Selective Insecticides and/or Acaricides Based on Substituted Cyclic Dicarbonyl Compounds and Safeners BAYER CROPSCIENCE AG (DE) 2008-08-21 US disclosed
EP-1773126-A1 SELECTIVE INSECTICIDES AND/OR ACARICIDES BASED ON SUBSTITUTED, CYCLIC DICARBONYL COMPOUNDS AND SAFENERS Bayer CropScience Aktiengesellschaft (DE) 2007-04-18 EP disclosed
WO-2006008107-A1 SELECTIVE INSECTICIDES AND/OR ACARICIDES BASED ON SUBSTITUTED, CYCLIC DICARBONYL COMPOUNDS AND SAFENERS BAYER CROPSCIENCE AG (DE) 2006-01-26 WO disclosed
US-6180568-B1 HERBICIDES, MITICIDES, INSECTICIDES OTSUKA KAGAKU KABUSHIKI KAISHA (JP) 2001-01-30 US disclosed
EP-1026159-A1 4-ARYL-4-SUBSTITUTED PYRAZOLIDINE-3,5-DIONE DERIVATIVES OTSUKA KAGAKU KABUSHIKI KAISHA (JP) 2000-08-09 EP 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 (1 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-20080200499-A1 Selective Insecticides and/or Acaricides Based on Substituted Cyclic Dicarbonyl Compounds and Safeners DDT, AADAC, ACMSD CYP2C9 385/4885BLM 1695/4885PMP22 1786/4885

“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.