SCHEMBL3375565

SCHEMBL3375565

CC(c1ccccc1)n1c(=O)c2sc3c(=O)n(C(C)c4ccccc4)c(=O)c3sc2c1=O

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.44
KMT2A Q03164 5/20 0.43
MEN1 O00255 4/20 0.43
NPSR1 Q6W5P4 2/20 0.43
KDM4E B2RXH2 1/20 0.43
LMNA P02545 1/20 0.43
CASP1 P29466 1/20 0.43
HSD17B10 Q99714 1/20 0.43
CSNK2B P67870 1/20 0.39
CSNK2A1 P68400 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
MC4R P32245 1/20 0.39
FAAH O00519 1/20 0.37
MET P08581 1/20 0.37
MAPT P10636 1/20 0.36
HTT P42858 1/20 0.36

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
SCHEMBL24554011 0.69 MEN1 (0.55) CYP2D6KMT2AMEN1NPSR1KDM4E
SCHEMBL20327145 0.69 MEN1 (0.55) CYP2D6KMT2AMEN1NPSR1KDM4E
SCHEMBL9395968 0.67 BRD4 (0.44) CYP2D6KMT2AMEN1NPSR1KDM4E
SCHEMBL4771733 0.66 MEN1 (0.44) CYP2D6KMT2AMEN1NPSR1KDM4E
SCHEMBL7371817 0.66 CA12 (0.50) CYP2D6KMT2AMEN1NPSR1KDM4E
SCHEMBL717117 0.65 ALDH1A1 (0.50) CYP2D6KMT2AMEN1NPSR1KDM4E
SCHEMBL27900581 0.65 MEN1 (0.49) CYP2D6KMT2AMEN1NPSR1KDM4E
SCHEMBL1795649 0.65 ALDH1A1 (0.50) CYP2D6KMT2AMEN1NPSR1KDM4E
SCHEMBL3817361 0.65 ALDH1A1 (0.50) CYP2D6KMT2AMEN1NPSR1KDM4E
SCHEMBL1730607 0.64 MAPK1 (0.58) KMT2AMEN1NPSR1KDM4ELMNA

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
EP-2386203-B1 Use of dithiin tetracarboximides for combating phytopathogenic fungi BAYER CROPSCIENCE AG (DE) 2013-11-20 EP claimed
US-9095140-B2 Use of dithiine-tetracarboximides for controlling phytopathogenic fungi BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-08-04 US disclosed
US-20150065551-A1 Use of Dithiine-tetracarboximides for Controlling Phytopathogenic Fungi BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-03-05 US disclosed
US-8865759-B2 Use of dithiine-tetracarboximides for controlling phytopathogenic fungi BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-10-21 US disclosed
EP-2386203-B1 Use of dithiin tetracarboximides for combating phytopathogenic fungi BAYER CROPSCIENCE AG (DE) 2013-11-20 EP disclosed
US-20110319462-A1 Use of Dithiine-tetracarboximides for Controlling Phytopathogenic Fungi BAYER CROPSCIENCE AG 2011-12-29 US disclosed
US-20100120884-A1 USE OF DITHIINE-TETRACARBOXIMIDES FOR CONTROLLING PHYTOPATHOGENIC FUNGI BAYER CROPSCIENCE AG (DE) 2010-05-13 US 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 (3 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-20100120884-A1 USE OF DITHIINE-TETRACARBOXIMIDES FOR CONTROLLING PHYTOPATHOGENIC FUNGI TST, TTI1, DPM1 CYP2D6 4458/4885KMT2A 2281/4885MEN1 1549/4885
US-20110319462-A1 Use of Dithiine-tetracarboximides for Controlling Phytopathogenic Fungi TST, TTI1, DPM1 CYP2D6 4458/4885KMT2A 2281/4885MEN1 1549/4885
US-20150065551-A1 Use of Dithiine-tetracarboximides for Controlling Phytopathogenic Fungi TST, TTI1, DPM1 CYP2D6 4458/4885KMT2A 2281/4885MEN1 1549/4885

“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.