SCHEMBL3319650

SCHEMBL3319650

Cc1cc(Oc2ccc(Br)cc2)c(C)cc1N

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.48
CYP3A4 P08684 1/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
SLC6A2 P23975 2/20 0.39
SLC6A4 P31645 2/20 0.39
SLC6A3 Q01959 2/20 0.39
ALDH1A1 P00352 6/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
PTGS1 P23219 1/20 0.37
PTGS2 P35354 1/20 0.37
CYP1A2 P05177 2/20 0.37
CYP2C9 P11712 2/20 0.37
HPGD P15428 2/20 0.37
CYP2C19 P33261 2/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
CYP2D6 P10635 1/20 0.37
KMT2A Q03164 1/20 0.37
LTA4H P09960 1/20 0.37

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
SCHEMBL5181416 0.84 MAPT (0.56) MAPTCYP3A4TSHRMAPK1SLC6A4
SCHEMBL3317596 0.83 CYP3A4 (0.49) CYP3A4TSHRMAPK1ALDH1A1SMN1; SMN2
SCHEMBL3322836 0.81 RAB9A (0.45) MAPTCYP3A4TSHRMAPK1ALDH1A1
SCHEMBL5178315 0.81 NPC1 (0.48) MAPTCYP3A4TSHRMAPK1ALDH1A1
SCHEMBL22966282 0.80 MAPT (0.57) MAPTCYP3A4TSHRMAPK1SLC6A2
SCHEMBL28439534 0.79 MAPT (0.60) MAPTCYP3A4TSHRMAPK1SLC6A2
SCHEMBL47039 0.79 MAPT (0.43) MAPTMAPK1SLC6A2SLC6A4SLC6A3
SCHEMBL9860036 0.79 ALDH1A1 (0.45) MAPTTSHRMAPK1SLC6A2SLC6A4
SCHEMBL9516991 0.79 ALDH1A1 (0.46) MAPTCYP3A4TSHRMAPK1SLC6A4
SCHEMBL31556301 0.78 MAPT (0.55) MAPTTSHRALDH1A1SMN1; SMN2HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8748662-B2 4-cycloalkyl or 4-aryl substituted phenoxyphenylamidines and use thereof as fungicides BAYER CROPSCIENCE AG (DE) 2014-06-10 US disclosed
US-20130012742-A1 4-CYCLOALKYL OR 4-SUBSTITUTED PHENOXYPHENYLAMIDINES AND USE THEREOF AS FUNGICIDES BAYER CROPSCIENCE AG (DE) 2013-01-10 US disclosed
US-8299302-B2 4-Cycloalkyl or 4-substituted phenoxyphenylamidines and use thereof as fungicides BAYER CROPSCIENCE AG (DE) 2012-10-30 US disclosed
US-20100120615-A1 4-CYCLOALKYL OR 4-SUBSTITUTED PHENOXYPHENYLAMIDINES AND USE THEREOF AS FUNGICIDES BAYER CROPSCIENCE AG (DE) 2010-05-13 US disclosed
EP-2120560-A1 4-CYCLOALKYL OR 4-ARYL SUBSTITUTED PHENOXYPHENYLAMIDINES AND USE THEREOF AS FUNGICIDES Bayer CropScience Aktiengesellschaft (DE) 2009-11-25 EP disclosed
WO-2008110315-A1 4-CYCLOALKYL OR 4-ARYL SUBSTITUTED PHENOXYPHENYLAMIDINES AND USE TEHROF AS FUNGICIDES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2008-09-18 WO disclosed
EP-1969934-A1 4-cycloalkyl or 4-aryl substituted 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 (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-20100120615-A1 4-CYCLOALKYL OR 4-SUBSTITUTED PHENOXYPHENYLAMIDINES AND USE THEREOF AS FUNGICIDES DDT, CYP4B1, PAH MAPT 3280/4885CYP3A4 7/4885TSHR 3047/4885
US-20130012742-A1 4-CYCLOALKYL OR 4-SUBSTITUTED PHENOXYPHENYLAMIDINES AND USE THEREOF AS FUNGICIDES DDT, CYP4B1, PAH MAPT 3280/4885CYP3A4 7/4885TSHR 3047/4885

“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.