SCHEMBL4968148

SCHEMBL4968148

CCN(C(=O)C(C)(C)CSC)c1cn(-c2cccnc2)nc1C

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
DGAT1 O75907 1/20 0.36
RIPK1 Q13546 1/20 0.35
HTT P42858 2/20 0.34
MAPK1 P28482 2/20 0.34
USP2 O75604 1/20 0.33
ATM Q13315 1/20 0.33
GRM5 P41594 1/20 0.33
GRM1 Q13255 1/20 0.33
ALDH1A1 P00352 4/20 0.32
NAMPT P43490 2/20 0.32
CYP2A6 P11509 2/20 0.32
CYP2E1 P05181 1/20 0.32
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
MAP3K5 Q99683 1/20 0.32
ELANE P08246 1/20 0.31

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
SCHEMBL18884257 0.90 NPC1 (0.35) NPC1RAB9ADGAT1RIPK1HTT
SCHEMBL4967866 0.89 RIPK1 (0.37) NPC1RAB9ADGAT1RIPK1HTT
SCHEMBL15975624 0.85 DGAT1 (0.40) NPC1RAB9ADGAT1RIPK1HTT
SCHEMBL15975611 0.83 SLC6A9 (0.31)
SCHEMBL15975575 0.82 HTT (0.37) NPC1RAB9ADGAT1RIPK1HTT
SCHEMBL14904642 0.82 NPC1 (0.39) NPC1RAB9ADGAT1HTTMAPK1
SCHEMBL18878060 0.81 NPC1 (0.36) NPC1RAB9ADGAT1HTTMAPK1
SCHEMBL10278858 0.81 NPC1 (0.37) NPC1RAB9ADGAT1HTTMAPK1
SCHEMBL15356838 0.81 CPB2 (0.42) NPC1RAB9ADGAT1HTTMAPK1
SCHEMBL14904641 0.80 DGAT1 (0.36) NPC1RAB9ADGAT1HTTMAPK1

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-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-20160318924-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2016-11-03 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-9282739-B2 Pesticidal compositions and processes related thereto DOW AGROSCIENCES LLC (US) 2016-03-15 US disclosed
US-20150166531-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2015-06-18 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-20130291227-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2013-10-31 US disclosed
WO-2012061290-A2 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2012-05-10 WO disclosed
US-20120110702-A1 Pesticidal Compositions and Processes Related Thereto CORTEVA AGRISCIENCE LLC 2012-05-03 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 (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-20160318924-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO ACHE, DDT, PTMS NPC1 3920/4885RAB9A 980/4885DGAT1 1025/4885
US-20130291227-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO ACHE, DDT, PTMS NPC1 3920/4885RAB9A 980/4885DGAT1 1025/4885
US-20150166531-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO ACHE, DDT, PTMS NPC1 3920/4885RAB9A 980/4885DGAT1 1025/4885
US-20120110702-A1 Pesticidal Compositions and Processes Related Thereto ACHE, DDT, PTMS NPC1 3920/4885RAB9A 980/4885DGAT1 1025/4885

“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.