SCHEMBL697115

SCHEMBL697115

O=C(Nc1cccc(C(=O)Nc2c(Br)cc(SC(F)(F)C(F)(F)C(F)(F)F)cc2Br)c1)OCC(Cl)(Cl)Cl

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.35
MAPT P10636 3/20 0.35
F2R P25116 1/20 0.35
RHOC P08134 1/20 0.35
RHOA P61586 1/20 0.35
RAB9A P51151 2/20 0.34
LMNA P02545 2/20 0.34
SMN1; SMN2 Q16637 5/20 0.34
TP53 P04637 1/20 0.34
KCNK3 O14649 1/20 0.33
NPC1 O15118 2/20 0.33
KDM1A O60341 1/20 0.33
MAOA P21397 1/20 0.33
KDM1B Q8NB78 1/20 0.33
RCOR1 Q9UKL0 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
MAPK1 P28482 1/20 0.33
HTT P42858 1/20 0.33

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
SCHEMBL2107104 0.83 KCNK3 (0.49) HPGDMAPTRAB9ALMNATP53
SCHEMBL699014 0.77 PTGS1 (0.47) MAPTLMNASMN1; SMN2TP53MEN1
SCHEMBL2102844 0.77 MEN1 (0.51) MAPTRHOCRHOARAB9ASMN1; SMN2
SCHEMBL697193 0.76 ABCC9 (0.51) HPGDMAPTRAB9ALMNASMN1; SMN2
SCHEMBL699297 0.74 RAB9A (0.42) HPGDMAPTRHOCRHOARAB9A
SCHEMBL698978 0.73 KCNJ11 (0.35) MAPTLMNATP53KCNK3MEN1
SCHEMBL2113906 0.72 ABCC9 (0.53) HPGDMAPTRAB9ALMNASMN1; SMN2
SCHEMBL2106896 0.72 KCNK3 (0.49) HPGDRAB9ALMNAKCNK3NPC1
SCHEMBL699081 0.71 RAB9A (0.51) HPGDRAB9ALMNASMN1; SMN2NPC1
SCHEMBL698139 0.71 HPGD (0.51) HPGDMAPTRAB9ALMNASMN1; SMN2

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 HPGD 1612/4885MAPT 4467/4885F2R 3977/4885
US-20120220802-A1 INSECTICIDE FOR AGRICULTURAL OR HORTICULTURAL USE AND METHOD OF USE THEREOF CYP1A2, CYP2C9, CYP3A7 HPGD 1635/4885MAPT 2990/4885F2R 4064/4885
US-20130066114-A1 INSECTICIDE FOR AGRICULTURAL OR HORTICULTURAL USE AND METHOD OF USE THEREOF CYP2C8, CYP4F8, CYP3A7 HPGD 1110/4885MAPT 3172/4885F2R 3942/4885
US-20070027154-A1 Insecticide for agricultural or horticultural use and method of use thereof CBR3, ATL3, CNPY2 HPGD 1905/4885MAPT 4414/4885F2R 3688/4885

“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.