SCHEMBL444521

SCHEMBL444521

N#C/C(C(N)=S)=C(\N)Cc1ccc(Cl)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
GAA P10253 1/20 0.42
GFER P55789 1/20 0.42
IDO1 P14902 3/20 0.40
ALDH1A1 P00352 3/20 0.36
FAAH O00519 1/20 0.36
MGLL Q99685 1/20 0.36
LMNA P02545 2/20 0.36
TSHR P16473 2/20 0.36
MAPT P10636 2/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ALOX12 P18054 1/20 0.36
KDM4E B2RXH2 2/20 0.36
KMT2A Q03164 2/20 0.36
HPGD P15428 1/20 0.36
HTR3E A5X5Y0 1/20 0.35
HTR3B O95264 1/20 0.35
HTR3A P46098 1/20 0.35

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
SCHEMBL454398 1.00 MAPK1 (0.42) MAPK1TDP1GAAGFERIDO1
SCHEMBL454399 1.00 MAPK1 (0.42) MAPK1TDP1GAAGFERIDO1
SCHEMBL454757 0.77 MEN1 (0.48) MAPK1TDP1GAAIDO1ALDH1A1
SCHEMBL454758 0.77 MEN1 (0.48) MAPK1TDP1GAAIDO1ALDH1A1
SCHEMBL11539746 0.74 TSHR (0.48) MAPK1TDP1GAAGFERIDO1
SCHEMBL11539748 0.74 TSHR (0.48) MAPK1TDP1GAAGFERIDO1
SCHEMBL18956042 0.74 MAPK1 (0.45) MAPK1TDP1GAAGFERALDH1A1
SCHEMBL18956039 0.74 MAPK1 (0.45) MAPK1TDP1GAAGFERALDH1A1
SCHEMBL1999167 0.72 IDO1 (0.52) GAAIDO1ALDH1A1FAAHMGLL
SCHEMBL8308825 0.71 GABRA1 (0.44) MAPK1TDP1GAAGFERALDH1A1

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 10 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-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-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 MAPK1 3474/4885TDP1 731/4885GAA 514/4885
US-20110130282-A1 Isothiazolyloxyphenylamidines and their use as fungicides DDT, CYP3A5, INMT MAPK1 3474/4885TDP1 731/4885GAA 514/4885

“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.