SCHEMBL2732950

SCHEMBL2732950

CCOc1c(NC(=O)O)c(C)nn1-c1cncc(F)c1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
LMNA P02545 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NR3C1 P04150 1/20 0.38
SLC34A1 Q06495 1/20 0.37
P2RX7 Q99572 4/20 0.37
ELOVL1 Q9BW60 4/20 0.36
NTRK1 P04629 1/20 0.36
TP53 P04637 2/20 0.36
NPY1R P25929 1/20 0.36
NPY2R P49146 1/20 0.36
MAPT P10636 1/20 0.36
RAB9A P51151 1/20 0.36
HTT P42858 1/20 0.36
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
NPSR1 Q6W5P4 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
SCHEMBL2689391 0.88 RORC (0.37) ALDH1A1LMNASMN1; SMN2NR3C1SLC34A1
SCHEMBL4968906 0.75 TLR7 (0.33) NR3C1SLC34A1P2RX7
SCHEMBL15975586 0.74 DPP4 (0.32) NR3C1SLC34A1P2RX7ELOVL1TP53
SCHEMBL15975587 0.73 DPP4 (0.31) SLC34A1P2RX7TP53MAPT
SCHEMBL16404263 0.70 RORC (0.37) MAPTRAB9A
SCHEMBL2731464 0.68 ELOVL1 (0.42) SLC34A1P2RX7ELOVL1MAPTKDM4E
SCHEMBL6969670 0.66 P2RX7 (0.55) ALDH1A1LMNASMN1; SMN2P2RX7MAPT
SCHEMBL25823227 0.65 CYP11B2 (0.43) P2RX7
SCHEMBL15975661 0.65 ELOVL1 (0.38) ELOVL1
SCHEMBL15975666 0.62 ELOVL1 (0.36) ALDH1A1P2RX7ELOVL1

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 ALDH1A1 1073/4885LMNA 2810/4885SMN1; SMN2 4317/4885
US-20170181432-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO ACHE, DDT, PTMS ALDH1A1 1073/4885LMNA 2810/4885SMN1; SMN2 4317/4885
US-20150072859-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO ACHE, DDT, PTMS ALDH1A1 1073/4885LMNA 2810/4885SMN1; SMN2 4317/4885
US-10165775-B2 Pesticidal compositions and processes related thereto ACHE, DDT, PTMS ALDH1A1 1073/4885LMNA 2810/4885SMN1; SMN2 4317/4885

“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.