SCHEMBL454758

SCHEMBL454758

N#CC(C(N)=S)=C(N)Cc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.48
KMT2A Q03164 5/20 0.48
TDP1 Q9NUW8 2/20 0.48
MAPK1 P28482 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
LOXL2 Q9Y4K0 1/20 0.44
IDO1 P14902 3/20 0.43
ALDH1A1 P00352 6/20 0.43
MAPT P10636 5/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
KDM4E B2RXH2 1/20 0.43
TSHR P16473 1/20 0.41
CYP2C19 P33261 2/20 0.41
CYP1A2 P05177 1/20 0.41
HTT P42858 1/20 0.40
LMNA P02545 1/20 0.40
GAA P10253 2/20 0.40
MAPK8 P45983 1/20 0.40
PKM P14618 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
SCHEMBL454757 1.00 MEN1 (0.48) MEN1KMT2ATDP1MAPK1NPSR1
SCHEMBL4487191 0.78 TDP1 (0.51) MEN1KMT2ATDP1MAPK1NPSR1
SCHEMBL4487187 0.78 TDP1 (0.51) MEN1KMT2ATDP1MAPK1NPSR1
SCHEMBL4487195 0.78 TDP1 (0.51) MEN1KMT2ATDP1MAPK1NPSR1
SCHEMBL444521 0.77 MAPK1 (0.42) KMT2ATDP1MAPK1IDO1ALDH1A1
SCHEMBL454398 0.77 MAPK1 (0.42) KMT2ATDP1MAPK1IDO1ALDH1A1
SCHEMBL454399 0.77 MAPK1 (0.42) KMT2ATDP1MAPK1IDO1ALDH1A1
SCHEMBL1829314 0.76 LOXL2 (0.57) MEN1KMT2ATDP1LOXL2IDO1
SCHEMBL30401215 0.71 CYP1A2 (0.51) MEN1KMT2AMAPK1ALDH1A1MAPT
SCHEMBL29880371 0.71 CYP1A2 (0.51) MEN1KMT2AMAPK1ALDH1A1MAPT

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-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-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
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 784/4885KMT2A 2601/4885TDP1 731/4885
US-20110130282-A1 Isothiazolyloxyphenylamidines and their use as fungicides DDT, CYP3A5, INMT MEN1 784/4885KMT2A 2601/4885TDP1 731/4885

“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.