SCHEMBL1728403

SCHEMBL1728403

O=c1c2sc3c(=O)n(CCOc4ccccc4)c(=O)c3sc2c(=O)n1CCOc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.59
SMN1; SMN2 Q16637 6/20 0.59
NPC1 O15118 6/20 0.59
ALDH1A1 P00352 2/20 0.59
TSHR P16473 1/20 0.59
MAPK1 P28482 1/20 0.59
L3MBTL1 Q9Y468 3/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
LMNA P02545 2/20 0.49
TP53 P04637 1/20 0.47
MAPT P10636 1/20 0.46
MITF O75030 1/20 0.46
PKM P14618 1/20 0.46
PLA2G7 Q13093 2/20 0.45
KCNA3 P22001 1/20 0.45
MEN1 O00255 1/20 0.43

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
SCHEMBL11488081 0.71 ALDH1A1 (0.57) RAB9ASMN1; SMN2NPC1ALDH1A1TSHR
SCHEMBL14862870 0.69 RAB9A (0.51) RAB9ASMN1; SMN2NPC1ALDH1A1TSHR
SCHEMBL1578469 0.68 RAB9A (0.83) RAB9ASMN1; SMN2NPC1ALDH1A1TSHR
SCHEMBL3380931 0.68 LMNA (0.51) RAB9ASMN1; SMN2NPC1ALDH1A1TSHR
SCHEMBL9135159 0.68 ALDH1A1 (0.53) RAB9ASMN1; SMN2NPC1ALDH1A1TSHR
SCHEMBL27962 0.67 KCNA3 (0.82) ALDH1A1PKMKCNA3
SCHEMBL8114904 0.66 LTA4H (0.61) RAB9ASMN1; SMN2NPC1ALDH1A1MEN1
SCHEMBL6945688 0.66 LTA4H (0.61) RAB9ASMN1; SMN2NPC1ALDH1A1MEN1
SCHEMBL10159030 0.66 PLA2G7 (0.69) RAB9ASMN1; SMN2NPC1ALDH1A1MAPK1
SCHEMBL24335204 0.65 POLB (0.75) RAB9ASMN1; SMN2NPC1ALDH1A1TSHR

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 12 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
EP-2386203-A2 Use of dithiin tetracarboximides for combating phytopathogenic fungi Bayer CropScience AG (DE) 2011-11-16 EP claimed
US-8040455-B2 Display device and information processing device having the same SAMSUNG ELECTRONICS CO., LTD. (KR) 2011-10-18 US 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
EP-2271219-B1 USE OF DITHIIN TETRACARBOXIMIDES FOR TREATING PHYTOPATHOGENIC FUNGI BAYER CROPSCIENCE AG (DE) 2011-11-23 EP disclosed
EP-2386203-A2 Use of dithiin tetracarboximides for combating phytopathogenic fungi Bayer CropScience AG (DE) 2011-11-16 EP disclosed
US-8040455-B2 Display device and information processing device having the same SAMSUNG ELECTRONICS CO., LTD. (KR) 2011-10-18 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 RAB9A 3317/4885SMN1; SMN2 4638/4885NPC1 4349/4885
US-20110319462-A1 Use of Dithiine-tetracarboximides for Controlling Phytopathogenic Fungi TST, TTI1, DPM1 RAB9A 3317/4885SMN1; SMN2 4638/4885NPC1 4349/4885
US-20150065551-A1 Use of Dithiine-tetracarboximides for Controlling Phytopathogenic Fungi TST, TTI1, DPM1 RAB9A 3317/4885SMN1; SMN2 4638/4885NPC1 4349/4885

“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.