SCHEMBL6025129

SCHEMBL6025129

CC(C)(C)OC(=O)Nn1cnc(Br)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.35
RAB9A P51151 3/20 0.35
RECQL P46063 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
HTT P42858 1/20 0.34
ATR Q13535 1/20 0.33
CA12 O43570 3/20 0.32
CA1 P00915 3/20 0.32
CA2 P00918 3/20 0.32
CA9 Q16790 3/20 0.32
AAK1 Q2M2I8 3/20 0.32
GSK3B P49841 1/20 0.32
DYRK1A Q13627 1/20 0.32
CTSL P07711 1/20 0.32
GAA P10253 1/20 0.32
NFKB1 P19838 1/20 0.32
NFKB2 Q00653 1/20 0.32
RELA Q04206 1/20 0.32

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
Hydrochloric Acid SCHEMBL25397825 0.77 L3MBTL1 (0.32) NPC1RAB9ASMN1; SMN2ATRCA12
SCHEMBL2690083 0.74 POLB (0.35) SMN1; SMN2MEN1KMT2AL3MBTL1
SCHEMBL29990322 0.73 CA12 (0.41) MEN1KMT2AHTTCA12CA1
SCHEMBL14860682 0.72 GPR119 (0.38) SMN1; SMN2MEN1KMT2AHTT
SCHEMBL27939412 0.72 CYP2C19 (0.50) RAB9AHTT
SCHEMBL19027921 0.71 CA1 (0.44) MEN1KMT2ACA12CA1CA2
SCHEMBL29357686 0.70 CPB2 (0.38) MEN1KMT2AHTTCA12CA1
SCHEMBL2698203 0.69 L3MBTL1 (0.44) RAB9AHTTATRCTSLL3MBTL1
SCHEMBL3122071 0.69 ALPL (0.46) RAB9ASMN1; SMN2KMT2AL3MBTL1
SCHEMBL9980547 0.69 APLNR (0.36) NPC1RAB9ASMN1; SMN2MEN1KMT2A

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
US-9210931-B2 Pesticidal compositions and processes related thereto DOW AGROSCIENCES LLC (US) 2015-12-15 US disclosed
US-9210931-B2 Pesticidal compositions and processes related thereto DOW AGROSCIENCES LLC (US) 2015-12-15 US disclosed
US-20150289509-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2015-10-15 US disclosed
US-20150289509-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2015-10-15 US disclosed
EP-2901858-A1 Pesticidal compositions and processes related thereto Dow AgroSciences LLC (US) 2015-08-05 EP disclosed
US-20140296068-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2014-10-02 US disclosed
US-20140296068-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2014-10-02 US disclosed
US-8680121-B2 Pesticidal compositions and processes related thereto DOW AGROSCIENCES, LLC. (US) 2014-03-25 US disclosed
US-8680121-B2 Pesticidal compositions and processes related thereto DOW AGROSCIENCES, LLC. (US) 2014-03-25 US disclosed
WO-2013062980-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2013-05-02 WO disclosed
WO-2012061288-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2012-05-10 WO disclosed
US-20120110701-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2012-05-03 US disclosed
US-20120110701-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2012-05-03 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-20140296068-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO ACHE, AGPS, DDT NPC1 3841/4885RAB9A 1063/4885RECQL 3463/4885
US-20120110701-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO ACHE, AGPS, DDT NPC1 3841/4885RAB9A 1063/4885RECQL 3463/4885
US-20150289509-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO ACHE, AGPS, DDT NPC1 3841/4885RAB9A 1063/4885RECQL 3463/4885

“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.