SCHEMBL1666847

SCHEMBL1666847

Cc1cccc2ncc(C3=NCC(C)(C)Oc4c(Cl)cccc43)cc12

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGER3 P43115 2/20 0.36
CNR2 P34972 1/20 0.32
CYP1A2 P05177 2/20 0.32
CYP3A4 P08684 2/20 0.32
CYP2D6 P10635 2/20 0.32
TSHR P16473 2/20 0.32
MAPK1 P28482 2/20 0.32
CYP2C19 P33261 2/20 0.32
CLK4 Q9HAZ1 2/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP2C9 P11712 1/20 0.32
PTPN11 Q06124 1/20 0.32
USP2 O75604 1/20 0.32
LMNA P02545 1/20 0.32
PSMB5 P28074 1/20 0.30
PTAFR P25105 1/20 0.30
MET P08581 1/20 0.30

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
SCHEMBL1666210 0.93 PTPN11 (0.33) CNR2CYP1A2CYP3A4CYP2D6TSHR
SCHEMBL1948345 0.85 BRD4 (0.41) CNR2CYP1A2CLK4PTPN11
Hydrochloric Acid SCHEMBL1668982 0.84 BRD4 (0.40) CNR2CYP1A2CLK4PTPN11
SCHEMBL1949002 0.83 PIK3CD (0.34) CNR2PTAFR
SCHEMBL1666193 0.82 PTPN11 (0.35) CNR2ALDH1A1PTPN11PSMB5
SCHEMBL1951044 0.82 PTPN11 (0.33) CNR2ALDH1A1PTPN11
SCHEMBL1666201 0.81 PTPN11 (0.35) CNR2CYP2C9PTPN11MET
SCHEMBL1666329 0.81 PDGFRB (0.40) CNR2PTPN11
SCHEMBL1949031 0.80 CNR2 (0.31) CNR2PTPN11
SCHEMBL1948336 0.80 BRD4 (0.41) CYP1A2CLK4ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2314583-B1 NITROGENATED HETEROCYCLIC DERIVATIVE, AND AGRICULTURAL OR HORTICULTURAL BACTERICIDAL AGENT NIPPON SODA CO (JP) 2015-02-25 EP disclosed
US-8557738-B2 Nitrogen-containing heterocyclic derivative and fungicide for agricultural and horticultural use NIPPON SODA CO., LTD. (JP) 2013-10-15 US disclosed
US-20110136782-A1 NITROGEN-CONTAINING HETEROCYCLIC DERIVATIVE AND FUNGICIDE FOR AGRICULTURAL AND HORTICULTURAL USE NIPPON SODA CO., LTD (JP) 2011-06-09 US disclosed
EP-2314583-A1 NITROGENATED HETEROCYCLIC DERIVATIVE, AND AGRICULTURAL OR HORTICULTURAL BACTERICIDAL AGENT Nippon Soda Co., Ltd. (JP) 2011-04-27 EP 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 (1 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-20110136782-A1 NITROGEN-CONTAINING HETEROCYCLIC DERIVATIVE AND FUNGICIDE FOR AGRICULTURAL AND HORTICULTURAL USE CBR3, NOS1, CBR1 PTGER3 4486/4885CNR2 1413/4885CYP1A2 70/4885

“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.