SCHEMBL13048005

SCHEMBL13048005

COc1ccc(CN(C(=O)OC(C)(C)C)c2cnc(-c3cccnc3)s2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.45
KDM4E B2RXH2 1/20 0.45
S1PR1 P21453 2/20 0.44
CYP19A1 P11511 2/20 0.42
HSD17B10 Q99714 3/20 0.41
CYP11B1 P15538 2/20 0.41
CYP11B2 P19099 2/20 0.41
NPC1 O15118 1/20 0.41
TP53 P04637 1/20 0.41
RAB9A P51151 1/20 0.41
IRAK4 Q9NWZ3 1/20 0.41
DYRK1A Q13627 1/20 0.40
CLK4 Q9HAZ1 1/20 0.40
DCTPP1 Q9H773 1/20 0.40
PSMB5 P28074 1/20 0.40
POLB P06746 2/20 0.39
F2 P00734 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
CYP2C9 P11712 1/20 0.39

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
SCHEMBL299455 0.84 HSD17B10 (0.48) MAPTKDM4ES1PR1HSD17B10NPC1
SCHEMBL13075086 0.80 HSD17B10 (0.41) MAPTKDM4EHSD17B10RAB9ACYP2C9
SCHEMBL23746265 0.80 S1PR1 (0.51) KDM4ES1PR1HSD17B10NPC1MAPK1
SCHEMBL291162 0.79 HSD17B10 (0.45) MAPTKDM4EHSD17B10MEN1KMT2A
SCHEMBL13048090 0.79 HSD17B10 (0.41) MAPTKDM4ES1PR1CYP19A1HSD17B10
SCHEMBL13048600 0.77 HSD17B10 (0.42) MAPTKDM4ES1PR1HSD17B10NPC1
SCHEMBL17644072 0.75 MLYCD (0.49) MEN1KMT2ACYP2C9MLYCD
SCHEMBL290009 0.74 CYP3A4 (0.46) MAPTKDM4EHSD17B10MEN1KMT2A
SCHEMBL23451250 0.73 MLYCD (0.51) MAPTTP53MEN1KMT2AMAPK1
SCHEMBL21505329 0.73 MLYCD (0.47) MAPTKDM4EHSD17B10RAB9APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9006446-B2 Pesticidal compositions DOW AGROSCIENCES LLC (US) 2015-04-14 US disclosed
US-9006446-B2 Pesticidal compositions DOW AGROSCIENCES LLC (US) 2015-04-14 US disclosed
US-20150045218-A1 PESTICIDAL COMPOSITIONS DOW AGROSCIENCES LLC (US) 2015-02-12 US disclosed
US-20150045218-A1 PESTICIDAL COMPOSITIONS DOW AGROSCIENCES LLC (US) 2015-02-12 US disclosed
US-8853246-B2 Pesticidal compositions DOW AGROSCIENCES, LLC. (US) 2014-10-07 US disclosed
US-8853246-B2 Pesticidal compositions DOW AGROSCIENCES, LLC. (US) 2014-10-07 US disclosed
US-20130089622-A1 PESTICIDAL COMPOSITIONS DOW AGROSCIENCES LLC (US) 2013-04-11 US disclosed
US-20130089622-A1 PESTICIDAL COMPOSITIONS DOW AGROSCIENCES LLC (US) 2013-04-11 US disclosed
US-20130072382-A1 PESTICIDAL COMPOSITIONS DOW AGROSCIENCES LLC (US) 2013-03-21 US disclosed
US-20130072382-A1 PESTICIDAL COMPOSITIONS DOW AGROSCIENCES LLC (US) 2013-03-21 US disclosed
US-8350044-B2 Pesticidal compositions DOW AGROSCIENCES, LLC. (US) 2013-01-08 US disclosed
US-8350044-B2 Pesticidal compositions DOW AGROSCIENCES, LLC. (US) 2013-01-08 US disclosed
US-20100292253-A1 PESTICIDAL COMPOSITIONS DOW AGROSCIENCES LLC (US) 2010-11-18 US disclosed
US-20100292253-A1 PESTICIDAL COMPOSITIONS DOW AGROSCIENCES LLC (US) 2010-11-18 US disclosed
WO-2010129497-A1 PESTICIDAL COMPOSITIONS DOW AGROSCIENCES LLC (US) 2010-11-11 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 (4 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-20100292253-A1 PESTICIDAL COMPOSITIONS ACHE, DDT, PRDX6 MAPT 3518/4885KDM4E 3250/4885S1PR1 2347/4885
US-20130089622-A1 PESTICIDAL COMPOSITIONS ACHE, DDT, PRDX6 MAPT 3518/4885KDM4E 3250/4885S1PR1 2347/4885
US-20150045218-A1 PESTICIDAL COMPOSITIONS ACHE, DDT, PRDX6 MAPT 3518/4885KDM4E 3250/4885S1PR1 2347/4885
US-20130072382-A1 PESTICIDAL COMPOSITIONS ACHE, DDT, PRDX6 MAPT 3518/4885KDM4E 3250/4885S1PR1 2347/4885

“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.