SCHEMBL3322580

SCHEMBL3322580

Cc1cc([N+](=O)[O-])c(C)cc1Oc1ccc(Br)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 7/20 0.51
LMNA P02545 5/20 0.51
GAA P10253 1/20 0.51
HSPB1 P04792 1/20 0.44
MAPT P10636 3/20 0.44
CYP1A2 P05177 2/20 0.42
ALDH1A1 P00352 7/20 0.42
KMT2A Q03164 5/20 0.42
HPGD P15428 3/20 0.42
TBXA2R P21731 1/20 0.42
MEN1 O00255 3/20 0.41
MAPK1 P28482 2/20 0.40
PDE7A Q13946 2/20 0.40
POLB P06746 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
NPC1 O15118 1/20 0.39
S1PR4 O95977 1/20 0.39

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
SCHEMBL10424841 0.85 ALDH1A1 (0.46) SMN1; SMN2LMNAGAAHSPB1MAPT
SCHEMBL3318989 0.84 SMN1; SMN2 (0.53) SMN1; SMN2LMNAHSPB1MAPTCYP1A2
SCHEMBL31556306 0.84 SMN1; SMN2 (0.53) SMN1; SMN2LMNAHSPB1MAPTCYP1A2
SCHEMBL8870187 0.81 MAPT (0.48) SMN1; SMN2LMNAGAAMAPTCYP1A2
SCHEMBL31556304 0.81 SMN1; SMN2 (0.64) SMN1; SMN2LMNAGAAMAPTCYP1A2
SCHEMBL28520772 0.81 HSPB1 (0.55) SMN1; SMN2LMNAGAAHSPB1MAPT
SCHEMBL3305076 0.79 HTR2A (0.47) SMN1; SMN2LMNAGAAHSPB1MAPT
SCHEMBL22966277 0.79 TBXA2R (0.53) SMN1; SMN2LMNAGAAHSPB1MAPT
SCHEMBL22966278 0.79 SMN1; SMN2 (0.42) SMN1; SMN2LMNAGAAHSPB1MAPT
SCHEMBL28443844 0.78 TBXA2R (0.52) SMN1; SMN2LMNAGAAHSPB1MAPT

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 SMN1; SMN2 4695/4885LMNA 4403/4885GAA 566/4885
US-20130012742-A1 4-CYCLOALKYL OR 4-SUBSTITUTED PHENOXYPHENYLAMIDINES AND USE THEREOF AS FUNGICIDES DDT, CYP4B1, PAH SMN1; SMN2 4695/4885LMNA 4403/4885GAA 566/4885

“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.