SCHEMBL701459

SCHEMBL701459

O=C(Nc1c(Cl)cc(SC(F)(F)C(F)(F)C(F)(F)F)cc1Cl)c1cccc([N+](=O)[O-])c1Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
P2RX1 P51575 3/20 0.41
DHODH Q02127 1/20 0.40
KCNMA1 Q12791 1/20 0.39
LMNA P02545 3/20 0.38
RORC P51449 1/20 0.38
MAPT P10636 3/20 0.38
POLB P06746 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
CCR6 P51684 1/20 0.38
GPR55 Q9Y2T6 1/20 0.38
XBP1 P17861 1/20 0.37
MAPK1 P28482 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
ALDH1A1 P00352 1/20 0.37

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
SCHEMBL699294 0.80 LMNA (0.51) MEN1KMT2ALMNAMAPTPOLB
SCHEMBL6024027 0.79 P2RX1 (0.50) MEN1KMT2AP2RX1KCNMA1LMNA
SCHEMBL2111601 0.78 LMNA (0.50) MEN1KMT2ALMNAMAPTPOLB
SCHEMBL1766765 0.76 P2RX1 (0.43) MEN1KMT2AP2RX1DHODHKCNMA1
SCHEMBL13835625 0.75 P2RX1 (0.45) MEN1KMT2AP2RX1DHODHKCNMA1
SCHEMBL1847012 0.74 DHODH (0.51) MEN1KMT2AP2RX1DHODHKCNMA1
SCHEMBL1767062 0.74 P2RX1 (0.46) MEN1KMT2AP2RX1DHODHKCNMA1
SCHEMBL1766761 0.74 P2RX1 (0.46) MEN1KMT2AP2RX1DHODHKCNMA1
SCHEMBL2008432 0.73 SMN1; SMN2 (0.50) MEN1KMT2AMAPTNPSR1ALDH1A1
SCHEMBL16207197 0.73 P2RX1 (0.47) MEN1KMT2AP2RX1DHODHKCNMA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2423188-B1 Intermediates in the preparation of agricultural/horticultural insecticides and method for using the same MITSUI CHEMICALS AGRO INC (JP) 2021-03-10 EP disclosed
EP-1661886-B1 INSECTICIDE FOR AGRICULTURAL OR HORTICULTURAL USE AND METHOD OF USE THEREOF MITSUI CHEMICALS AGRO INC (JP) 2016-08-10 EP disclosed
US-9101135-B2 Agricultural/horticultural insecticide and method for using the same MITSUI CHEMICALS, INC. (JP) 2015-08-11 US disclosed
US-9089133-B2 Insecticide for agricultural or horticultural use and method of use thereof MITSUI CHEMICALS, INC. (JP) 2015-07-28 US disclosed
US-20140303377-A1 AGRICULTURAL/HORTICULTURAL INSECTICIDE AND METHOD FOR USING THE SAME MITSUI CHEMICALS, INC. (JP) 2014-10-09 US disclosed
US-8816128-B2 Insecticide for agricultural or horticultural use and method of use thereof MITSUI CHEMICALS, INC. (JP) 2014-08-26 US disclosed
US-20130066114-A1 INSECTICIDE FOR AGRICULTURAL OR HORTICULTURAL USE AND METHOD OF USE THEREOF MITSUI CHEMICALS, INC. (JP) 2013-03-14 US disclosed
US-20120220802-A1 INSECTICIDE FOR AGRICULTURAL OR HORTICULTURAL USE AND METHOD OF USE THEREOF MITSUI CHEMICALS, INC. (JP) 2012-08-30 US disclosed
US-8158814-B2 Insecticide for agricultural or horticultural use and method of use thereof MITSUI CHEMICALS, INC. (JP) 2012-04-17 US disclosed
EP-2423188-A1 Agricultural/Horticultural Insecticide and Method for Using the Same MITSUI CHEMICALS AGRO, INC. (JP) 2012-02-29 EP disclosed
US-20070027154-A1 Insecticide for agricultural or horticultural use and method of use thereof MITSUI CHEMICALS., INC. (JP) 2007-02-01 US disclosed
EP-1661886-A1 INSECTICIDE FOR AGRICULTURAL OR HORTICULTURAL USE AND METHOD OF USE THEREOF Mitsui Chemicals, Inc. (JP) 2006-05-31 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 (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-20140303377-A1 AGRICULTURAL/HORTICULTURAL INSECTICIDE AND METHOD FOR USING THE SAME CBR3, ATL3, CNPY2 MEN1 2646/4885KMT2A 1560/4885P2RX1 2302/4885
US-20120220802-A1 INSECTICIDE FOR AGRICULTURAL OR HORTICULTURAL USE AND METHOD OF USE THEREOF CYP1A2, CYP2C9, CYP3A7 MEN1 4326/4885KMT2A 703/4885P2RX1 2951/4885
US-20130066114-A1 INSECTICIDE FOR AGRICULTURAL OR HORTICULTURAL USE AND METHOD OF USE THEREOF CYP2C8, CYP4F8, CYP3A7 MEN1 4190/4885KMT2A 746/4885P2RX1 2909/4885
US-20070027154-A1 Insecticide for agricultural or horticultural use and method of use thereof CBR3, ATL3, CNPY2 MEN1 2426/4885KMT2A 1931/4885P2RX1 1725/4885

“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.