SCHEMBL4967348

SCHEMBL4967348

CSC(C)CC(=O)N(C)c1cn(-c2cccnc2)nc1C

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
GRM1 Q13255 1/20 0.34
ALDH1A1 P00352 3/20 0.34
DGAT1 O75907 1/20 0.34
NAMPT P43490 2/20 0.33
LMNA P02545 1/20 0.33
MAPK1 P28482 1/20 0.33
MAP3K5 Q99683 1/20 0.33
NOTUM Q6P988 1/20 0.32
CACNA2D1 P54289 1/20 0.32
USP2 O75604 1/20 0.32
ATM Q13315 1/20 0.32
ADORA3 P0DMS8 1/20 0.32
TLR8 Q9NR97 1/20 0.32
GAA P10253 1/20 0.32
CYP2E1 P05181 1/20 0.32
CYP2A6 P11509 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
SCHEMBL15356713 0.90 NPC1 (0.35) NPC1RAB9AGRM1ALDH1A1DGAT1
SCHEMBL18627132 0.90 NPC1 (0.35) NPC1RAB9AGRM1ALDH1A1DGAT1
SCHEMBL4967874 0.90 ALDH1A1 (0.35) NPC1RAB9AGRM1ALDH1A1DGAT1
SCHEMBL14904618 0.89 NPC1 (0.40) NPC1RAB9AGRM1DGAT1NAMPT
SCHEMBL4969186 0.89 NPC1 (0.38) NPC1RAB9AALDH1A1DGAT1NAMPT
SCHEMBL4966406 0.86 CACNA2D1 (0.39) NPC1RAB9AALDH1A1DGAT1MAPK1
SCHEMBL15363490 0.86 NPC1 (0.38) NPC1RAB9AALDH1A1DGAT1LMNA
SCHEMBL15363445 0.83 SLC6A9 (0.33)
SCHEMBL4971802 0.83 DGAT1 (0.39) NPC1RAB9AGRM1ALDH1A1DGAT1
SCHEMBL14904688 0.83 NPC1 (0.39) NPC1RAB9AALDH1A1DGAT1NAMPT

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 18 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-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-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-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-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
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 (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-20160318924-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO ACHE, DDT, PTMS NPC1 3920/4885RAB9A 980/4885GRM1 2514/4885
US-20130291227-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO ACHE, DDT, PTMS NPC1 3920/4885RAB9A 980/4885GRM1 2514/4885
US-20140213448-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO ACHE, DDT, PTMS NPC1 3920/4885RAB9A 980/4885GRM1 2514/4885
US-20150166531-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO ACHE, DDT, PTMS NPC1 3920/4885RAB9A 980/4885GRM1 2514/4885
US-10165775-B2 Pesticidal compositions and processes related thereto ACHE, DDT, PTMS NPC1 3920/4885RAB9A 980/4885GRM1 2514/4885
US-20120110702-A1 Pesticidal Compositions and Processes Related Thereto ACHE, DDT, PTMS NPC1 3920/4885RAB9A 980/4885GRM1 2514/4885

“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.