SCHEMBL2733007

SCHEMBL2733007

Cc1nn(-c2cccnc2)c(Br)c1N(C)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.39
GRM1 Q13255 5/20 0.39
NR3C1 P04150 1/20 0.36
MAPT P10636 3/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
NFE2L2 Q16236 1/20 0.36
NAMPT P43490 1/20 0.36
LMNA P02545 1/20 0.35
POLB P06746 1/20 0.35
GAA P10253 1/20 0.35
TSHR P16473 1/20 0.35
MMP1 P03956 1/20 0.35
MMP9 P14780 1/20 0.35
MMP13 P45452 1/20 0.35
ADAM17 P78536 1/20 0.35
HSD11B1 P28845 1/20 0.35
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
CYP2E1 P05181 1/20 0.35

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
SCHEMBL2688872 0.88 SMN1; SMN2 (0.46) SMN1; SMN2GRM1NR3C1MAPTLMNA
SCHEMBL2690374 0.85 GRM1 (0.39) SMN1; SMN2GRM1NR3C1MAPTNPC1
SCHEMBL2690511 0.84 GPR119 (0.42) SMN1; SMN2GRM1NPC1RAB9ANFE2L2
SCHEMBL15356695 0.82 PRSS1 (0.34) SMN1; SMN2GRM1POLBGAAMMP1
SCHEMBL14904614 0.81 GRM1 (0.37) SMN1; SMN2GRM1MAPTLMNAPOLB
SCHEMBL2730859 0.77 NAMPT (0.39) SMN1; SMN2GRM1MAPTNPC1RAB9A
SCHEMBL17535316 0.73 SMN1; SMN2 (0.42) SMN1; SMN2GRM1NR3C1MAPTNPC1
SCHEMBL2733010 0.73 NPC1 (0.42) GRM1NPC1RAB9ANAMPTGAA
SCHEMBL17535315 0.72 GPR119 (0.44) SMN1; SMN2GRM1NR3C1MAPTNPC1
SCHEMBL2689365 0.72 SMN1; SMN2 (0.41) SMN1; SMN2GRM1MAPTNPC1RAB9A

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-10165775-B2 Pesticidal compositions and processes related thereto DOW AGROSCIENCES LLC (US) 2019-01-01 US disclosed
US-20170181432-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2017-06-29 US disclosed
US-9655365-B2 Pesticidal compositions and processes related thereto DOW AGROSCIENCES LLC (US) 2017-05-23 US disclosed
EP-2852284-A2 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO Dow AgroSciences LLC (US) 2015-04-01 EP disclosed
US-20150072859-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2015-03-12 US disclosed
EP-2840898-A2 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO Dow AgroSciences LLC (US) 2015-03-04 EP disclosed
US-8937083-B2 Pesticidal compositions and processes related thereto DowAgroSciences, LLC (US) 2015-01-20 US disclosed
WO-2013162716-A9 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2014-11-06 WO disclosed
EP-2775843-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO Dow AgroSciences LLC (US) 2014-09-17 EP disclosed
WO-2013162715-A2 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2013-10-31 WO disclosed
WO-2013162716-A2 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2013-10-31 WO disclosed
EP-2635278-A2 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO Dow AgroSciences LLC (US) 2013-09-11 EP disclosed
US-20130109566-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2013-05-02 US disclosed
WO-2013062981-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2013-05-02 WO disclosed
WO-2012061290-A2 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2012-05-10 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-20130109566-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO ACHE, DDT, PTMS SMN1; SMN2 4317/4885GRM1 2514/4885NR3C1 3925/4885
US-20170181432-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO ACHE, DDT, PTMS SMN1; SMN2 4317/4885GRM1 2514/4885NR3C1 3925/4885
US-20150072859-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO ACHE, DDT, PTMS SMN1; SMN2 4317/4885GRM1 2514/4885NR3C1 3925/4885
US-10165775-B2 Pesticidal compositions and processes related thereto ACHE, DDT, PTMS SMN1; SMN2 4317/4885GRM1 2514/4885NR3C1 3925/4885

“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.