SCHEMBL699375

SCHEMBL699375

Cc1cc(SC(F)(C(F)(F)F)C(F)(F)F)ccc1N

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 7/20 0.42
CYP3A4 P08684 7/20 0.42
ALDH1A1 P00352 4/20 0.42
TSHR P16473 4/20 0.42
S100B P04271 1/20 0.38
MAPK1 P28482 3/20 0.36
MAPT P10636 2/20 0.36
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 4/20 0.36
KDM4E B2RXH2 2/20 0.35
ESR1 P03372 2/20 0.34
AR P10275 1/20 0.34
ESR2 Q92731 1/20 0.34
SKP2 Q13309 1/20 0.33
THRB P10828 2/20 0.33
ALOX15 P16050 2/20 0.33
RECQL P46063 1/20 0.33
HIF1A Q16665 1/20 0.33
KCNH2 Q12809 1/20 0.32

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
SCHEMBL2113009 0.85 TDP1 (0.42) TDP1CYP3A4ALDH1A1TSHRS100B
SCHEMBL4157946 0.85 ALDH1A1 (0.52) TDP1CYP3A4ALDH1A1TSHRS100B
SCHEMBL12003617 0.82 ALDH1A1 (0.39) TDP1CYP3A4ALDH1A1TSHRS100B
SCHEMBL699377 0.81 ALDH1A1 (0.38) TDP1CYP3A4ALDH1A1TSHRS100B
SCHEMBL698113 0.80 ALDH1A1 (0.37) TDP1CYP3A4ALDH1A1TSHRS100B
SCHEMBL696900 0.79 ALDH1A1 (0.41) TDP1CYP3A4ALDH1A1TSHRMAPT
SCHEMBL11808310 0.73 CYP3A4 (0.54) TDP1CYP3A4ALDH1A1TSHRS100B
SCHEMBL273206 0.73 CYP3A4 (0.54) TDP1CYP3A4ALDH1A1TSHRS100B
SCHEMBL6371600 0.71 CYP3A4 (0.52) TDP1CYP3A4ALDH1A1TSHRS100B
SCHEMBL12775090 0.69 TDP1 (0.52) TDP1CYP3A4ALDH1A1TSHRMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 (3 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 TDP1 2795/4885CYP3A4 166/4885ALDH1A1 1956/4885
US-20120220802-A1 INSECTICIDE FOR AGRICULTURAL OR HORTICULTURAL USE AND METHOD OF USE THEREOF CYP1A2, CYP2C9, CYP3A7 TDP1 2554/4885CYP3A4 17/4885ALDH1A1 145/4885
US-20130066114-A1 INSECTICIDE FOR AGRICULTURAL OR HORTICULTURAL USE AND METHOD OF USE THEREOF CYP2C8, CYP4F8, CYP3A7 TDP1 2440/4885CYP3A4 16/4885ALDH1A1 184/4885

“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.