SCHEMBL3309060

SCHEMBL3309060

CCN(C)C=Nc1cc(C)c(Oc2ccc(Cl)c(F)c2)cc1C

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 17/20 0.39
SLC6A4 P31645 17/20 0.39
KCNH2 Q12809 15/20 0.39
ALDH1A1 P00352 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
MAPT P10636 1/20 0.35
CYP2C9 P11712 1/20 0.35
HPGD P15428 1/20 0.35
CYP2C19 P33261 1/20 0.35
KMT2A Q03164 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
SLC6A2 P23975 1/20 0.32
SLC6A3 Q01959 1/20 0.32
SOS1 Q07889 1/20 0.31
ICAM1 P05362 1/20 0.30
SELE P16581 1/20 0.30

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
SCHEMBL3309057 1.00 HTR2A (0.39) HTR2ASLC6A4KCNH2ALDH1A1CYP1A2
SCHEMBL3309879 0.91 SLC6A4 (0.38) HTR2ASLC6A4KCNH2ALDH1A1CYP1A2
SCHEMBL3305855 0.91 SLC6A4 (0.38) HTR2ASLC6A4KCNH2ALDH1A1CYP1A2
SCHEMBL3308486 0.91 HTR2A (0.40) HTR2ASLC6A4KCNH2SLC6A2SLC6A3
SCHEMBL3308483 0.91 HTR2A (0.40) HTR2ASLC6A4KCNH2SLC6A2SLC6A3
SCHEMBL3305568 0.90 HTR2A (0.40) HTR2ASLC6A4KCNH2ALDH1A1CYP1A2
SCHEMBL3305575 0.90 HTR2A (0.40) HTR2ASLC6A4KCNH2ALDH1A1CYP1A2
SCHEMBL3304313 0.90 HTR2A (0.44) HTR2ASLC6A4KCNH2SLC6A2SLC6A3
SCHEMBL3308810 0.90 HTR2A (0.41) HTR2ASLC6A4KCNH2CYP3A4
SCHEMBL3304309 0.90 HTR2A (0.44) HTR2ASLC6A4KCNH2SLC6A2SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9199922-B2 Dihalophenoxyphenylamidines and use thereof as fungicides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-12-01 US claimed
EP-2136627-B1 DIHALOPHENOXYPHENYLAMIDINES AND USE THEREOF AS FUNGICIDES BAYER IP GMBH (DE) 2015-05-13 EP claimed
US-20100099558-A1 DIHALOPHENOXYPHENYLAMIDINES AND USE THEREOF AS FUNGICIDES BAYER CROPSCIENCE AG (DE) 2010-04-22 US claimed
EP-1969933-A1 Di-halogen phenoxy phenylamidines and their use as fungicides Bayer CropScience AG (DE) 2008-09-17 EP claimed
US-9199922-B2 Dihalophenoxyphenylamidines and use thereof as fungicides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-12-01 US disclosed
EP-2136627-B1 DIHALOPHENOXYPHENYLAMIDINES AND USE THEREOF AS FUNGICIDES BAYER IP GMBH (DE) 2015-05-13 EP disclosed
US-20100099558-A1 DIHALOPHENOXYPHENYLAMIDINES AND USE THEREOF AS FUNGICIDES BAYER CROPSCIENCE AG (DE) 2010-04-22 US disclosed
EP-1969933-A1 Di-halogen phenoxy phenylamidines and their use as fungicides Bayer CropScience AG (DE) 2008-09-17 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-20100099558-A1 DIHALOPHENOXYPHENYLAMIDINES AND USE THEREOF AS FUNGICIDES DDT, PAH, DNPH1 HTR2A 2254/4885SLC6A4 1388/4885KCNH2 1849/4885

“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.