SCHEMBL14901004

SCHEMBL14901004

C#CCN(C(=O)CCSC)c1cn(-c2cccnc2)nc1Cl

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.33
DGAT1 O75907 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
FAAH O00519 1/20 0.32
KCNH2 Q12809 1/20 0.32
NAMPT P43490 1/20 0.31
KDM5B Q9UGL1 1/20 0.31
MAPK1 P28482 1/20 0.31
CACNA2D1 P54289 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
SCHEMBL14901007 0.90 ALDH1A1 (0.36) ALDH1A1DGAT1NPC1RAB9ANAMPT
SCHEMBL14900976 0.90 NPC1 (0.35) ALDH1A1DGAT1NPC1RAB9ANAMPT
SCHEMBL2692300 0.88 ALDH1A1 (0.37) ALDH1A1DGAT1NPC1RAB9AFAAH
SCHEMBL14900856 0.87 DGAT1 (0.33) ALDH1A1DGAT1NPC1RAB9ANAMPT
SCHEMBL15356918 0.87 NPC1 (0.36) ALDH1A1DGAT1NPC1RAB9AFAAH
SCHEMBL14900920 0.86 DGAT1 (0.34) DGAT1
SCHEMBL14900855 0.86 ALDH1A1 (0.32) ALDH1A1DGAT1NPC1RAB9ANAMPT
SCHEMBL15356920 0.86 ALDH1A1 (0.33) ALDH1A1DGAT1NPC1RAB9AFAAH
SCHEMBL14900886 0.85 DGAT1 (0.32) ALDH1A1DGAT1NPC1RAB9AKDM5B
SCHEMBL14900923 0.85 DGAT1 (0.37) DGAT1NPC1RAB9ANAMPTKDM5B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10165775-B2 Pesticidal compositions and processes related thereto DOW AGROSCIENCES LLC (US) 2019-01-01 US disclosed
US-20180055055-A1 FOLIAR APPLICATIONS FOR CONTROLLING LEPIDOPTERAN PESTS FOR FRUITS AND/OR FRUIT TREES DOW AGROSCIENCES LLC (US) 2018-03-01 US disclosed
US-20180055055-A1 FOLIAR APPLICATIONS FOR CONTROLLING LEPIDOPTERAN PESTS FOR FRUITS AND/OR FRUIT TREES DOW AGROSCIENCES LLC (US) 2018-03-01 US disclosed
US-9655365-B2 Pesticidal compositions and processes related thereto DOW AGROSCIENCES LLC (US) 2017-05-23 US disclosed
US-9655365-B2 Pesticidal compositions and processes related thereto DOW AGROSCIENCES LLC (US) 2017-05-23 US disclosed
US-9591857-B2 Pesticidal compositions and processes related thereto DOW AGROSCIENCES LLC (US) 2017-03-14 US disclosed
US-9591857-B2 Pesticidal compositions and processes related thereto DOW AGROSCIENCES LLC (US) 2017-03-14 US disclosed
US-9282739-B2 Pesticidal compositions and processes related thereto DOW AGROSCIENCES LLC (US) 2016-03-15 US disclosed
US-20150072859-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2015-03-12 US disclosed
US-20150072859-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2015-03-12 US disclosed
US-8937083-B2 Pesticidal compositions and processes related thereto DowAgroSciences, LLC (US) 2015-01-20 US disclosed
US-8937083-B2 Pesticidal compositions and processes related thereto DowAgroSciences, LLC (US) 2015-01-20 US disclosed
US-8901153-B2 Pesticidal compositions and processes related thereto DOW AGROSCIENCES, LLC. (US) 2014-12-02 US disclosed
US-8901153-B2 Pesticidal compositions and processes related thereto DOW AGROSCIENCES, LLC. (US) 2014-12-02 US disclosed
US-20140213448-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2014-07-31 US disclosed
US-20140213448-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2014-07-31 US disclosed
US-20130291227-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2013-10-31 US disclosed
US-20130109566-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2013-05-02 US disclosed
US-20130109566-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2013-05-02 US 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 (6 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-20130109566-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO ACHE, DDT, PTMS ALDH1A1 1073/4885DGAT1 1025/4885NPC1 3920/4885
US-20180055055-A1 FOLIAR APPLICATIONS FOR CONTROLLING LEPIDOPTERAN PESTS FOR FRUITS AND/OR FRUIT TREES CHIA, AMY1A, FNTA ALDH1A1 3043/4885DGAT1 356/4885NPC1 4702/4885
US-20130291227-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO ACHE, DDT, PTMS ALDH1A1 1073/4885DGAT1 1025/4885NPC1 3920/4885
US-20150072859-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO ACHE, DDT, PTMS ALDH1A1 1073/4885DGAT1 1025/4885NPC1 3920/4885
US-20140213448-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO ACHE, DDT, PTMS ALDH1A1 1073/4885DGAT1 1025/4885NPC1 3920/4885
US-10165775-B2 Pesticidal compositions and processes related thereto ACHE, DDT, PTMS ALDH1A1 1073/4885DGAT1 1025/4885NPC1 3920/4885

“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.