SCHEMBL4449622

SCHEMBL4449622

CCN(C)C=Nc1cc(C)c(Oc2cccc(C(F)(F)F)c2Cl)cc1C

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 1/20 0.33
MAP2K1 Q02750 2/20 0.31
ANO1 Q5XXA6 1/20 0.31
SIGMAR1 Q99720 2/20 0.31

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
SCHEMBL4449620 1.00 MRGPRX4 (0.33) MRGPRX4MAP2K1ANO1SIGMAR1
SCHEMBL4448034 0.88 GRIN2B (0.33)
SCHEMBL4448032 0.88 GRIN2B (0.33)
SCHEMBL19742850 0.83 SCN9A (0.34)
SCHEMBL157046 0.81 SCN9A (0.38)
SCHEMBL121354 0.81 SCN9A (0.38)
SCHEMBL29485704 0.81 SCN9A (0.38)
SCHEMBL1278450 0.81 SCN9A (0.38)
SCHEMBL21779547 0.81 SLC6A2 (0.41)
SCHEMBL12710204 0.80 RHEB (0.35)

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-20090018176-A1 FUNGICIDE COMPOSITION COMPRISING AN ARYLAMIDINE DERIVATIVE AND TWO KNOWN FUNGICIDE COMPOUNDS BAYER CROPSCIENCE AG (DE) 2009-01-15 US claimed
US-20070155802-A1 Fungicide composition comprising an arylamidine derivative and known fungicide compounds BAYER CROPSCIENCE S.A. (FR) 2007-07-05 US claimed
EP-1424893-B1 FUNGICIDAL MIXTURE CONTAINING ARYLAMIDINE DERIVATIVES BAYER CROPSCIENCE SA (FR) 2006-04-19 EP claimed
EP-1570736-A1 Fungicide composition comprising an arylamidine derivative and known fungicide compounds Bayer CropScience S.A. (FR) 2005-09-07 EP claimed
US-20090018176-A1 FUNGICIDE COMPOSITION COMPRISING AN ARYLAMIDINE DERIVATIVE AND TWO KNOWN FUNGICIDE COMPOUNDS BAYER CROPSCIENCE AG (DE) 2009-01-15 US disclosed
US-20070155802-A1 Fungicide composition comprising an arylamidine derivative and known fungicide compounds BAYER CROPSCIENCE S.A. (FR) 2007-07-05 US disclosed
EP-1424893-B1 FUNGICIDAL MIXTURE CONTAINING ARYLAMIDINE DERIVATIVES BAYER CROPSCIENCE SA (FR) 2006-04-19 EP disclosed
EP-1570736-A1 Fungicide composition comprising an arylamidine derivative and known fungicide compounds Bayer CropScience S.A. (FR) 2005-09-07 EP disclosed
US-20040241098-A1 Fungicidal mixture containing arylamidine derivatives BAYER CROPSCIENCE S.A. (FR) 2004-12-02 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 (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-20090018176-A1 FUNGICIDE COMPOSITION COMPRISING AN ARYLAMIDINE DERIVATIVE AND TWO KNOWN FUNGICIDE COMPOUNDS NAT1, DDT, CNPY2 MRGPRX4 2604/4885MAP2K1 3935/4885ANO1 2235/4885
US-20070155802-A1 Fungicide composition comprising an arylamidine derivative and known fungicide compounds PFN1, CNPY2, PRDX1 MRGPRX4 716/4885MAP2K1 4496/4885ANO1 1586/4885

“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.