SCHEMBL3305076

SCHEMBL3305076

Cc1cc([N+](=O)[O-])c(C)cc1Oc1ccc(Cl)c(Cl)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.47
SLC6A4 P31645 3/20 0.47
KCNH2 Q12809 3/20 0.47
TDP1 Q9NUW8 2/20 0.45
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
MERTK Q12866 1/20 0.42
PDE7A Q13946 2/20 0.42
POLB P06746 2/20 0.41
TTR P02766 1/20 0.41
PPOX P50336 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HPGD P15428 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
TP53 P04637 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40

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
SCHEMBL2338697 0.85 TBXA2R (0.41) TDP1MEN1KMT2AMERTKPDE7A
SCHEMBL6488771 0.84 TDP1 (0.47) TDP1MEN1KMT2ATTRPPOX
SCHEMBL16386609 0.80 LMNA (0.38) TDP1MEN1KMT2AMERTKPDE7A
SCHEMBL10424841 0.79 ALDH1A1 (0.46) MEN1KMT2APDE7APOLBL3MBTL1
SCHEMBL3322580 0.79 SMN1; SMN2 (0.51) MEN1KMT2AMERTKPDE7APOLB
SCHEMBL31556306 0.79 SMN1; SMN2 (0.53) SLC6A4TDP1MEN1KMT2APOLB
SCHEMBL3318989 0.79 SMN1; SMN2 (0.53) SLC6A4TDP1MEN1KMT2APOLB
SCHEMBL17351244 0.78 PDE7A (0.52) TDP1MEN1KMT2AMERTKPDE7A
SCHEMBL17355906 0.78 PDE7A (0.49) TDP1MEN1KMT2AMERTKPDE7A
SCHEMBL1341164 0.78 HPGD (0.64) HTR2ASLC6A4KCNH2TDP1MEN1

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 disclosed
EP-2136627-B1 DIHALOPHENOXYPHENYLAMIDINES AND USE THEREOF AS FUNGICIDES BAYER IP GMBH (DE) 2015-05-13 EP disclosed
CN-101631462-B Dihalophenoxyphenylamidines and their use as fungicides BAYER CROPSCIENCE AG 2014-12-24 CN disclosed
US-20100099558-A1 DIHALOPHENOXYPHENYLAMIDINES AND USE THEREOF AS FUNGICIDES BAYER CROPSCIENCE AG (DE) 2010-04-22 US disclosed
CN-101631462-A Dihalophenoxyphenylamidines and their use as fungicides BAYER CROPSCIENCE AG 2010-01-20 CN disclosed
EP-2136627-A1 DIHALOPHENOXYPHENYLAMIDINES AND USE THEREOF AS FUNGICIDES Bayer CropScience AG (DE) 2009-12-30 EP disclosed
WO-2008110279-A1 DIHALOPHENOXYPHENYLAMIDINES AND USE THEREOF AS FUNGICIDES BAYER CROPSCIENCE AG (DE) 2008-09-18 WO 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.