SCHEMBL444507

SCHEMBL444507

CC(C)(C)C(N)=C(C#N)C#N

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.36
MAPT P10636 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31

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
SCHEMBL4624875 0.69 ALDH1A1 (0.36) MAPTALDH1A1
SCHEMBL6035320 0.69 ALDH1A1 (0.36) MAPTALDH1A1
SCHEMBL456373 0.69 ALDH1A1 (0.36) KMT2AMAPTKDM4EMEN1LMNA
SCHEMBL442469 0.69 ALDH1A1 (0.36) KMT2AMAPTKDM4EMEN1LMNA
SCHEMBL456372 0.69 ALDH1A1 (0.36) KMT2AMAPTKDM4EMEN1LMNA
SCHEMBL6050622 0.67 KDM4E (0.33) KMT2AMAPTKDM4EMEN1LMNA
SCHEMBL9901551 0.67 TDP1 (0.35)
SCHEMBL444510 0.67 TDP1 (0.35) KDM4EALDH1A1
SCHEMBL11940286 0.67
SCHEMBL10644863 0.65

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 20 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
CN-102388027-A Isothiazolyloxyphenylamidines and their use as fungicides BAYER CROPSCIENCE AG 2012-03-21 CN 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
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
WO-2010086118-A1 ISOTHIAZOLYLOXYPHENYL AMIDINES AND USE THEREOF AS FUNGICIDES BAYER CROPSCIENCE AG (DE) 2010-08-05 WO disclosed
EP-1344774-B1 Synthesizing methods of dicyanomethylidene compound and heterocyclic compound FUJI PHOTO FILM CO LTD (JP) 2005-12-07 EP disclosed
EP-1344774-A1 Synthesizing methods of dicyanomethylidene compound and heterocyclic compound FUJI PHOTO FILM CO., LTD. (JP) 2003-09-17 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-20120065061-A1 ISOTHIAZOLYLOXYPHENYLAMIDINES AND THEIR USE AS FUNGICIDES DDT, CYP3A5, INMT KMT2A 2601/4885MAPT 3061/4885KDM4E 2299/4885
US-20110130282-A1 Isothiazolyloxyphenylamidines and their use as fungicides DDT, CYP3A5, INMT KMT2A 2601/4885MAPT 3061/4885KDM4E 2299/4885

“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.