SCHEMBL699081

SCHEMBL699081

O=C(Nc1cccc(C(=O)O)c1)OCC(Cl)(Cl)Cl

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.51
NPC1 O15118 7/20 0.51
HPGD P15428 2/20 0.51
KMT2A Q03164 5/20 0.50
MEN1 O00255 4/20 0.50
ALDH1A1 P00352 3/20 0.50
KDM4E B2RXH2 1/20 0.50
LMNA P02545 2/20 0.49
CBS P35520 1/20 0.49
MITF O75030 3/20 0.48
SMN1; SMN2 Q16637 4/20 0.47
NR1H4 Q96RI1 2/20 0.47
HTT P42858 1/20 0.47
PAX8 Q06710 1/20 0.47
MAPK1 P28482 1/20 0.47

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
SCHEMBL698139 0.89 HPGD (0.51) RAB9ANPC1HPGDKMT2AMEN1
SCHEMBL698388 0.84 RAB9A (0.67) RAB9ANPC1HPGDKMT2AMEN1
SCHEMBL10778464 0.83 NPC1 (0.54) RAB9ANPC1HPGDKMT2AMEN1
SCHEMBL25648974 0.81 MEN1 (0.55) RAB9ANPC1HPGDKMT2AMEN1
SCHEMBL10658594 0.81 LMNA (0.68) RAB9ANPC1HPGDKMT2AMEN1
SCHEMBL30444388 0.79 HPGD (0.61) RAB9ANPC1HPGDKMT2AMEN1
SCHEMBL20357361 0.79 MAPT (0.58) RAB9AKMT2AMEN1ALDH1A1LMNA
SCHEMBL6400257 0.78 MGLL (0.72) RAB9ANPC1KMT2AMEN1ALDH1A1
SCHEMBL8176056 0.78 NR1H4 (0.52) RAB9ANPC1KMT2AALDH1A1MITF
SCHEMBL30444153 0.77 NR1H4 (0.55) RAB9ANPC1HPGDKMT2AMEN1

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 RAB9A 4275/4885NPC1 1561/4885HPGD 1612/4885
US-20120220802-A1 INSECTICIDE FOR AGRICULTURAL OR HORTICULTURAL USE AND METHOD OF USE THEREOF CYP1A2, CYP2C9, CYP3A7 RAB9A 1488/4885NPC1 3484/4885HPGD 1635/4885
US-20130066114-A1 INSECTICIDE FOR AGRICULTURAL OR HORTICULTURAL USE AND METHOD OF USE THEREOF CYP2C8, CYP4F8, CYP3A7 RAB9A 2912/4885NPC1 3604/4885HPGD 1110/4885
US-20070027154-A1 Insecticide for agricultural or horticultural use and method of use thereof CBR3, ATL3, CNPY2 RAB9A 4104/4885NPC1 1365/4885HPGD 1905/4885

“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.