SCHEMBL14904646

SCHEMBL14904646

CSCC(=O)N(C)c1cn(-c2cccnc2)nc1Br

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
DGAT1 O75907 1/20 0.35
MAPK1 P28482 1/20 0.34
GAA P10253 3/20 0.33
CYP2A6 P11509 1/20 0.32
POLB P06746 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
HTT P42858 1/20 0.32
TSHR P16473 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
ELANE P08246 1/20 0.32
KDM4E B2RXH2 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
SCHEMBL15910375 0.89 NPC1 (0.36) ALDH1A1NPC1RAB9ADGAT1MAPK1
SCHEMBL15975697 0.87 ALDH1A1 (0.38) ALDH1A1NPC1RAB9ADGAT1MAPK1
SCHEMBL2691588 0.87 ALDH1A1 (0.39) ALDH1A1NPC1RAB9ADGAT1MAPK1
SCHEMBL18627132 0.85 NPC1 (0.35) ALDH1A1NPC1RAB9ADGAT1MAPK1
SCHEMBL15356713 0.85 NPC1 (0.35) ALDH1A1NPC1RAB9ADGAT1MAPK1
SCHEMBL15363512 0.84 LMNA (0.35) ALDH1A1NPC1RAB9ADGAT1MAPK1
SCHEMBL2690794 0.83 MAPK1 (0.40) ALDH1A1NPC1RAB9AMAPK1GAA
SCHEMBL15363436 0.82 DGAT1 (0.36) ALDH1A1NPC1RAB9ADGAT1MAPK1
SCHEMBL4970245 0.82 DGAT1 (0.39) ALDH1A1NPC1RAB9ADGAT1MAPK1
SCHEMBL15975693 0.81 LMNA (0.34) ALDH1A1NPC1RAB9ADGAT1MAPK1

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200055846-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2020-02-20 US disclosed
US-10165775-B2 Pesticidal compositions and processes related thereto DOW AGROSCIENCES LLC (US) 2019-01-01 US disclosed
US-9708288-B2 Pesticidal compositions and processes related thereto DOW AGROSCIENCES LLC (US) 2017-07-18 US disclosed
US-9708288-B2 Pesticidal compositions and processes related thereto DOW AGROSCIENCES LLC (US) 2017-07-18 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-9422278-B2 Pesticidal compositions and processes related thereto DOW AGROSCIENCES LLC (US) 2016-08-23 US disclosed
US-9422278-B2 Pesticidal compositions and processes related thereto DOW AGROSCIENCES LLC (US) 2016-08-23 US disclosed
US-20150335022-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2015-11-26 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-8815271-B2 Pesticidal compositions and processes related thereto DOW AGROSCIENCES, LLC. (US) 2014-08-26 US disclosed
US-8815271-B2 Pesticidal compositions and processes related thereto DOW AGROSCIENCES, LLC. (US) 2014-08-26 US disclosed
US-20130109566-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2013-05-02 US disclosed
WO-2013062981-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2013-05-02 WO 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 (5 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 1073/4885NPC1 3920/4885RAB9A 980/4885
US-20150072859-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO ACHE, DDT, PTMS ALDH1A1 1073/4885NPC1 3920/4885RAB9A 980/4885
US-20150335022-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO ACHE, DDT, PTMS ALDH1A1 1073/4885NPC1 3920/4885RAB9A 980/4885
US-20200055846-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO ACHE, DDT, PTMS ALDH1A1 1073/4885NPC1 3920/4885RAB9A 980/4885
US-10165775-B2 Pesticidal compositions and processes related thereto ACHE, DDT, PTMS ALDH1A1 1073/4885NPC1 3920/4885RAB9A 980/4885

“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.