SCHEMBL15910337

SCHEMBL15910337

CSCC(C)C(=O)N(C)c1cnn(-c2cccnc2)c1Br

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GRM1 Q13255 6/20 0.36
LMNA P02545 1/20 0.35
SMO Q99835 1/20 0.34
MAPK14 Q16539 1/20 0.33
IDO1 P14902 1/20 0.32
TDO2 P48775 1/20 0.32
NFE2L2 Q16236 2/20 0.32
KEAP1 Q14145 1/20 0.32
ALDH1A1 P00352 1/20 0.32
NAMPT P43490 1/20 0.32
NR3C1 P04150 1/20 0.32
POLB P06746 2/20 0.32
CNR1 P21554 1/20 0.31
CNR2 P34972 1/20 0.31
HSD11B1 P28845 1/20 0.31
CYP11B2 P19099 1/20 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
SCHEMBL14904670 0.88 GRM1 (0.40) GRM1LMNASMOMAPK14IDO1
SCHEMBL14904643 0.82 MAPK14 (0.35) GRM1LMNASMOMAPK14NFE2L2
SCHEMBL14904614 0.81 GRM1 (0.37) GRM1LMNAMAPK14IDO1TDO2
SCHEMBL2730859 0.81 NAMPT (0.39) GRM1LMNASMOMAPK14IDO1
SCHEMBL15363512 0.80 LMNA (0.35) GRM1LMNAALDH1A1
SCHEMBL14904691 0.77 NPC1 (0.36) GRM1LMNAALDH1A1NAMPT
SCHEMBL14904608 0.76 LMNA (0.37) GRM1LMNAALDH1A1
SCHEMBL14904649 0.76 LMNA (0.35) GRM1LMNAALDH1A1
SCHEMBL14904629 0.75 SMN1; SMN2 (0.38) GRM1LMNANR3C1POLB
SCHEMBL15975591 0.75 GRM1 (0.37) GRM1LMNAALDH1A1POLBCNR1

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 17 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-9708288-B2 Pesticidal compositions and processes related thereto DOW AGROSCIENCES LLC (US) 2017-07-18 US disclosed
US-9708288-B2 Pesticidal compositions and processes related thereto DOW AGROSCIENCES LLC (US) 2017-07-18 US disclosed
US-9655365-B2 Pesticidal compositions and processes related thereto DOW AGROSCIENCES LLC (US) 2017-05-23 US disclosed
US-9655365-B2 Pesticidal compositions and processes related thereto DOW AGROSCIENCES LLC (US) 2017-05-23 US disclosed
US-9591857-B2 Pesticidal compositions and processes related thereto DOW AGROSCIENCES LLC (US) 2017-03-14 US disclosed
US-9591857-B2 Pesticidal compositions and processes related thereto DOW AGROSCIENCES LLC (US) 2017-03-14 US disclosed
US-9422278-B2 Pesticidal compositions and processes related thereto DOW AGROSCIENCES LLC (US) 2016-08-23 US disclosed
US-9422278-B2 Pesticidal compositions and processes related thereto DOW AGROSCIENCES LLC (US) 2016-08-23 US disclosed
US-9282739-B2 Pesticidal compositions and processes related thereto DOW AGROSCIENCES LLC (US) 2016-03-15 US disclosed
US-8937083-B2 Pesticidal compositions and processes related thereto DowAgroSciences, LLC (US) 2015-01-20 US disclosed
US-8937083-B2 Pesticidal compositions and processes related thereto DowAgroSciences, LLC (US) 2015-01-20 US disclosed
US-8901153-B2 Pesticidal compositions and processes related thereto DOW AGROSCIENCES, LLC. (US) 2014-12-02 US disclosed
US-8901153-B2 Pesticidal compositions and processes related thereto DOW AGROSCIENCES, LLC. (US) 2014-12-02 US disclosed
US-8815271-B2 Pesticidal compositions and processes related thereto DOW AGROSCIENCES, LLC. (US) 2014-08-26 US disclosed
US-8815271-B2 Pesticidal compositions and processes related thereto DOW AGROSCIENCES, LLC. (US) 2014-08-26 US disclosed
US-20140213448-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2014-07-31 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 (2 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-20140213448-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO ACHE, DDT, PTMS GRM1 2514/4885LMNA 2810/4885SMO 3907/4885
US-10165775-B2 Pesticidal compositions and processes related thereto ACHE, DDT, PTMS GRM1 2514/4885LMNA 2810/4885SMO 3907/4885

“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.