SCHEMBL1412427

SCHEMBL1412427

CCOC(=O)c1n[nH]nc1C(F)(F)F

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.44
MAPT P10636 4/20 0.44
POLB P06746 2/20 0.44
KMT2A Q03164 2/20 0.44
PDE4D Q08499 1/20 0.41
NPSR1 Q6W5P4 1/20 0.40
ALDH1A1 P00352 2/20 0.40
HPGD P15428 1/20 0.40
HDAC4 P56524 2/20 0.40
HDAC6 Q9UBN7 2/20 0.40
HDAC3 O15379 1/20 0.40
HDAC1 Q13547 1/20 0.40
MEN1 O00255 1/20 0.39
ALOX15 P16050 1/20 0.39
IDO1 P14902 1/20 0.39
CYP1A2 P05177 1/20 0.37

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
SCHEMBL28728827 0.82 PDE4D (0.52) KDM4EMAPTPOLBKMT2APDE4D
SCHEMBL841773 0.77 PDE4D (0.52) KDM4EMAPTPOLBKMT2APDE4D
SCHEMBL24334811 0.75 KDM4E (0.46) KDM4EMAPTPOLBKMT2ANPSR1
SCHEMBL1412585 0.74 PDE4D (0.44) KDM4EMAPTPOLBKMT2APDE4D
SCHEMBL31332897 0.74 L3MBTL1 (0.46) KDM4EMAPTPOLBKMT2APDE4D
SCHEMBL19924873 0.73 MAPT (0.56) KDM4EMAPTKMT2ANPSR1ALDH1A1
SCHEMBL30468618 0.73 MAPT (0.56) KDM4EMAPTKMT2ANPSR1ALDH1A1
SCHEMBL2371687 0.73 KDM4E (0.55) KDM4EMAPTKMT2ANPSR1ALDH1A1
SCHEMBL20471481 0.72 KDM4E (0.74) KDM4EMAPTPOLBKMT2APDE4D
SCHEMBL13365026 0.72 KDM4E (0.50) KDM4EMAPTPOLBKMT2APDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1991542-B1 HERBICIDAL ISOXAZOLINE COMPOUNDS SYNGENTA LTD (GB) 2011-03-16 EP disclosed
EP-1991542-B1 HERBICIDAL ISOXAZOLINE COMPOUNDS SYNGENTA LTD (GB) 2011-03-16 EP disclosed
US-20100004128-A1 HERBICIDAL ISOXAZOLINE COMPOUNDS SYNGENTA CROP PROTECTION, INC. (US) 2010-01-07 US disclosed
US-20100004128-A1 HERBICIDAL ISOXAZOLINE COMPOUNDS SYNGENTA CROP PROTECTION, INC. (US) 2010-01-07 US disclosed
US-20100004128-A1 HERBICIDAL ISOXAZOLINE COMPOUNDS SYNGENTA CROP PROTECTION, INC. (US) 2010-01-07 US disclosed
US-20090042726-A1 Novel Herbicides SYNGENTA LIMITED (GB) 2009-02-12 US disclosed
US-20090042726-A1 Novel Herbicides SYNGENTA LIMITED (GB) 2009-02-12 US disclosed
US-20090042726-A1 Novel Herbicides SYNGENTA LIMITED (GB) 2009-02-12 US disclosed
EP-1991542-A1 HERBICIDAL ISOXAZOLINE COMPOUNDS Syngenta Limited (GB) 2008-11-19 EP disclosed
EP-1965644-A1 NOVEL HERBICIDES Syngenta Limited (GB) 2008-09-10 EP disclosed
WO-2007096576-A1 HERBICIDAL ISOXAZOLINE COMPOUNDS SYNGENTA LIMITED (GB) 2007-08-30 WO disclosed
WO-2007096576-A1 HERBICIDAL ISOXAZOLINE COMPOUNDS SYNGENTA LIMITED (GB) 2007-08-30 WO disclosed
WO-2007071900-A1 NOVEL HERBICIDES SYNGENTA LIMITED (GB) 2007-06-28 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-20100004128-A1 HERBICIDAL ISOXAZOLINE COMPOUNDS CYP4X1, RDX, HAX1 KDM4E 2140/4885MAPT 4065/4885POLB 2662/4885
US-20090042726-A1 Novel Herbicides DDT, CBR3, CBR1 KDM4E 1271/4885MAPT 3990/4885POLB 3662/4885

“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.