SCHEMBL444207

SCHEMBL444207

CC(C)(C)c1nsc(Cl)c1C#N

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.35
ALDH1A1 P00352 2/20 0.35
MAPT P10636 2/20 0.35
MAPK1 P28482 2/20 0.35
KMT2A Q03164 2/20 0.35
NPY1R P25929 1/20 0.35
HTT P42858 1/20 0.35
NPY2R P49146 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
TP53 P04637 1/20 0.30
CYP3A4 P08684 1/20 0.30
HPGD P15428 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL444045 0.76 MEN1 (0.32) MEN1ALDH1A1MAPTMAPK1KMT2A
SCHEMBL15159478 0.72
SCHEMBL1514351 0.72
SCHEMBL12976271 0.68 NPC1 (0.51) MEN1ALDH1A1KMT2AHTTL3MBTL1
SCHEMBL13176356 0.68
SCHEMBL18923146 0.68
SCHEMBL13019678 0.68 ALDH1A1 (0.47) MEN1ALDH1A1MAPTMAPK1KMT2A
SCHEMBL11764899 0.68
SCHEMBL23084787 0.63 MEN1 (0.55) MEN1ALDH1A1MAPTMAPK1KMT2A
SCHEMBL21720402 0.61

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8470739-B2 Isothiazolyloxyphenylamidines and their use as fungicides BAYER CROPSCIENE AG (DE) 2013-06-25 US disclosed
US-8470739-B2 Isothiazolyloxyphenylamidines and their use as fungicides BAYER CROPSCIENE AG (DE) 2013-06-25 US disclosed
US-8470739-B2 Isothiazolyloxyphenylamidines and their use as fungicides BAYER CROPSCIENE AG (DE) 2013-06-25 US disclosed
US-8138211-B2 Isothiazolyloxyphenylamidines and their use as fungicides BAYER CROPSCIENCE AG (DE) 2012-03-20 US disclosed
US-8138211-B2 Isothiazolyloxyphenylamidines and their use as fungicides BAYER CROPSCIENCE AG (DE) 2012-03-20 US disclosed
US-8138211-B2 Isothiazolyloxyphenylamidines and their use as fungicides BAYER CROPSCIENCE AG (DE) 2012-03-20 US disclosed
US-20120065061-A1 ISOTHIAZOLYLOXYPHENYLAMIDINES AND THEIR USE AS FUNGICIDES BAYER CROPSCIENCE AG (DE) 2012-03-15 US disclosed
US-20120065061-A1 ISOTHIAZOLYLOXYPHENYLAMIDINES AND THEIR USE AS FUNGICIDES BAYER CROPSCIENCE AG (DE) 2012-03-15 US disclosed
US-20120065061-A1 ISOTHIAZOLYLOXYPHENYLAMIDINES AND THEIR USE AS FUNGICIDES BAYER CROPSCIENCE AG (DE) 2012-03-15 US disclosed
EP-2391612-A1 Isothiazolyloxyphenyl amidines and use thereof as fungicides Bayer CropScience AG (DE) 2011-12-07 EP disclosed
US-20110130282-A1 Isothiazolyloxyphenylamidines and their use as fungicides BAYER CROPSCIENCE AG (DE) 2011-06-02 US disclosed
US-20110130282-A1 Isothiazolyloxyphenylamidines and their use as fungicides BAYER CROPSCIENCE AG (DE) 2011-06-02 US disclosed
US-20110130282-A1 Isothiazolyloxyphenylamidines and their use as fungicides BAYER CROPSCIENCE AG (DE) 2011-06-02 US disclosed
EP-2223917-A1 Isothiazolyloxyphenylamidines and their use as fungicides Bayer CropScience AG (DE) 2010-09-01 EP disclosed
WO-2010086118-A1 ISOTHIAZOLYLOXYPHENYL AMIDINES AND USE THEREOF AS FUNGICIDES BAYER CROPSCIENCE AG (DE) 2010-08-05 WO 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-20120065061-A1 ISOTHIAZOLYLOXYPHENYLAMIDINES AND THEIR USE AS FUNGICIDES DDT, CYP3A5, INMT MEN1 784/4885ALDH1A1 526/4885MAPT 3061/4885
US-20110130282-A1 Isothiazolyloxyphenylamidines and their use as fungicides DDT, CYP3A5, INMT MEN1 784/4885ALDH1A1 526/4885MAPT 3061/4885

“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.