SCHEMBL14904668

SCHEMBL14904668

CSCCC(=O)N(c1cn(-c2cccnc2)nc1C)C(C)C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
CACNA2D1 P54289 2/20 0.34
GRM1 Q13255 1/20 0.33
ALDH1A1 P00352 4/20 0.33
DGAT1 O75907 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
MAPK1 P28482 1/20 0.32
TSHR P16473 2/20 0.32
NAMPT P43490 2/20 0.32
MAP3K5 Q99683 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MAPT P10636 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
HTT P42858 1/20 0.32
CYP2E1 P05181 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2A6 P11509 1/20 0.32
USP2 O75604 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
SCHEMBL15363521 0.89 ALDH1A1 (0.34) NPC1RAB9ACACNA2D1GRM1ALDH1A1
SCHEMBL14904688 0.87 NPC1 (0.39) NPC1RAB9ACACNA2D1ALDH1A1DGAT1
SCHEMBL19129209 0.86 NPC1 (0.36) NPC1RAB9ACACNA2D1GRM1ALDH1A1
SCHEMBL15356980 0.85 NPC1 (0.36) NPC1RAB9ACACNA2D1ALDH1A1DGAT1
SCHEMBL15356675 0.85 NPC1 (0.38) NPC1RAB9ACACNA2D1GRM1ALDH1A1
SCHEMBL14904642 0.84 NPC1 (0.39) NPC1RAB9ACACNA2D1ALDH1A1DGAT1
SCHEMBL17590831 0.84 NPC1 (0.35) NPC1RAB9ACACNA2D1ALDH1A1DGAT1
SCHEMBL14904607 0.84 NPC1 (0.35) NPC1RAB9ACACNA2D1ALDH1A1DGAT1
SCHEMBL4967518 0.82 CACNA2D1 (0.42) NPC1RAB9ACACNA2D1ALDH1A1DGAT1
SCHEMBL4965575 0.81 ALDH1A1 (0.36) NPC1RAB9AGRM1ALDH1A1KDM4E

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-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-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-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 (3 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 NPC1 3920/4885RAB9A 980/4885CACNA2D1 1133/4885
US-20150072859-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO ACHE, DDT, PTMS NPC1 3920/4885RAB9A 980/4885CACNA2D1 1133/4885
US-10165775-B2 Pesticidal compositions and processes related thereto ACHE, DDT, PTMS NPC1 3920/4885RAB9A 980/4885CACNA2D1 1133/4885

“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.