SCHEMBL2454549

SCHEMBL2454549

C#CCOc1[c]c(F)ccc1

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.34
MAOB P27338 9/20 0.33
POLB P06746 1/20 0.33
MAPK1 P28482 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2A6 P11509 1/20 0.33
MAPT P10636 1/20 0.32
CA12 O43570 2/20 0.32
CA4 P22748 2/20 0.32
CA9 Q16790 2/20 0.32
GSTP1 P09211 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA7 P43166 1/20 0.32
MAOA P21397 4/20 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
SCHEMBL3841959 0.86 POLB (0.39) NPC1MAOBPOLBMAPK1HSD17B10
SCHEMBL23153 0.81 KDM4E (0.33) HSD17B10
SCHEMBL2457666 0.79 ADAM17 (0.32)
SCHEMBL16395484 0.78 MAOB (0.35) NPC1MAOBPOLBMAPK1HSD17B10
SCHEMBL2456102 0.78 MAOB (0.33) NPC1MAOBPOLBMAPK1HSD17B10
SCHEMBL159421 0.75 NQO1 (0.36) CYP3A4MAPT
SCHEMBL15939662 0.74 POLB (0.33) MAOBPOLBMAPK1HSD17B10CA12
SCHEMBL15939840 0.74 POLB (0.33) NPC1MAOBPOLBMAPK1HSD17B10
SCHEMBL4535895 0.73 APP (0.30)
SCHEMBL17282973 0.72 NPC1 (0.38) NPC1MAOBPOLBMAPK1HSD17B10

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 44 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10941122-B2 Diaminotriazine derivatives as herbicides BASF SE (DE) 2021-03-09 US claimed
EP-3129359-B1 DIAMINOTRIAZINE DERIVATIVES AS HERBICIDES BASF SE (DE) 2021-03-03 EP claimed
US-9975889-B2 Heteroaryl piperidine and heteroaryl piperazine derivatives as fungicides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2018-05-22 US claimed
US-20170044153-A1 HETEROARYL PIPERIDINE AND HETEROARYL PIPERAZINE DERIVATIVES AS FUNGICIDES BAYER INTELLECTUAL PROPERTY GMBH 2017-02-16 US claimed
US-20170044154-A1 HETEROARYL PIPERIDINE AND HETEROARYL PIPERAZINE DERIVATIVES AS FUNGICIDES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2017-02-16 US claimed
EP-3129359-A1 DIAMINOTRIAZINE DERIVATIVES AS HERBICIDES BASF SE (DE) 2017-02-15 EP claimed
US-20170022170-A1 DIAMINOTRIAZINE DERIVATIVES AS HERBICIDES BASF SE (DE) 2017-01-26 US claimed
WO-2015155272-A1 DIAMINOTRIAZINE DERIVATIVES AS HERBICIDES BASF SE (DE) 2015-10-15 WO claimed
EP-2516426-B1 BIS(DIFLUORMETHYL)PYRAZOLES USED AS FUNGICIDES BAYER CROPSCIENCE AG (DE) 2015-09-16 EP claimed
US-20140057945-A1 Bis(difluoromethyl)pyrazoles as Fungicides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-02-27 US claimed
US-8524743-B2 Bis(difluoromethyl)pyrazoles as fungicides BAYER CROPSCIENCE AG (DE) 2013-09-03 US claimed
US-20110224257-A1 Bis(difluoromethyl)pyrazoles as Fungicides BAYER CROPSCIENCE AG (DE) 2011-09-15 US claimed
US-11147272-B2 Pyridone compounds and agricultural and horticultural fungicides comprising the same as active ingredients MITSUI CHEMICALS ARGRO, INC. (JP) 2021-10-19 US disclosed
US-10941122-B2 Diaminotriazine derivatives as herbicides BASF SE (DE) 2021-03-09 US disclosed
EP-3129359-B1 DIAMINOTRIAZINE DERIVATIVES AS HERBICIDES BASF SE (DE) 2021-03-03 EP disclosed
EP-3611164-A1 PYRIDONE COMPOUND, AND AGRICULTURAL AND HORTICULTURAL FUNGICIDE HAVING THIS AS ACTIVE COMPONENT Mitsui Chemicals Agro, Inc. (JP) 2020-02-19 EP disclosed
WO-2014206896-A1 PIPERIDINECARBOXYLIC ACID DERIVATIVES AS FUNGICIDES BAYER CROPSCIENCE AG (DE) 2014-12-31 WO disclosed
US-20140057945-A1 Bis(difluoromethyl)pyrazoles as Fungicides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-02-27 US disclosed
US-8524743-B2 Bis(difluoromethyl)pyrazoles as fungicides BAYER CROPSCIENCE AG (DE) 2013-09-03 US disclosed
US-20110224257-A1 Bis(difluoromethyl)pyrazoles as Fungicides BAYER CROPSCIENCE AG (DE) 2011-09-15 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 (7 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-20170044154-A1 HETEROARYL PIPERIDINE AND HETEROARYL PIPERAZINE DERIVATIVES AS FUNGICIDES PRXL2A, CYP1A1, CAT NPC1 2814/4885MAOB 803/4885POLB 2270/4885
US-10941122-B2 Diaminotriazine derivatives as herbicides DDT, CBR3, HDHD5 NPC1 4342/4885MAOB 2028/4885POLB 4206/4885
US-20170044153-A1 HETEROARYL PIPERIDINE AND HETEROARYL PIPERAZINE DERIVATIVES AS FUNGICIDES PRXL2A, CYP1A1, CAT NPC1 2814/4885MAOB 803/4885POLB 2270/4885
US-20170022170-A1 DIAMINOTRIAZINE DERIVATIVES AS HERBICIDES DDT, CBR3, HDHD5 NPC1 4342/4885MAOB 2028/4885POLB 4206/4885
US-11147272-B2 Pyridone compounds and agricultural and horticultural fungicides comprising the same as active ingredients PNPO, PDXK, PLPBP NPC1 4243/4885MAOB 131/4885POLB 3942/4885
US-20110224257-A1 Bis(difluoromethyl)pyrazoles as Fungicides CYP1A1, CYP4X1, CYP2F1 NPC1 2849/4885MAOB 841/4885POLB 1608/4885
US-20140057945-A1 Bis(difluoromethyl)pyrazoles as Fungicides CYP1A1, CYP4X1, CYP2F1 NPC1 2849/4885MAOB 841/4885POLB 1608/4885

“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.