SCHEMBL14900855

SCHEMBL14900855

C#CCN(C(=O)CCSC(c1ccccc1)(c1ccccc1)c1ccccc1)c1cn(-c2cccnc2)nc1Cl

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
CACNA2D1 P54289 1/20 0.31
DGAT1 O75907 1/20 0.31
NAMPT P43490 1/20 0.31
KDM5B Q9UGL1 1/20 0.30
GAA P10253 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
SCHEMBL15363272 0.89 NPC1 (0.37) ALDH1A1NPC1RAB9ADGAT1GAA
SCHEMBL14901004 0.86 ALDH1A1 (0.33) ALDH1A1NPC1RAB9ACACNA2D1DGAT1
SCHEMBL15346914 0.85 NPC1 (0.36) ALDH1A1NPC1RAB9ADGAT1GAA
SCHEMBL16660540 0.85 ALDH1A1 (0.31) ALDH1A1CACNA2D1
SCHEMBL15910267 0.84 ALDH1A1 (0.31) ALDH1A1NPC1RAB9A
SCHEMBL14900920 0.83 DGAT1 (0.34) DGAT1
SCHEMBL14900856 0.83 DGAT1 (0.33) ALDH1A1NPC1RAB9ADGAT1NAMPT
SCHEMBL14892979 0.82 ALDH1A1 (0.37) ALDH1A1NPC1RAB9ACACNA2D1DGAT1
SCHEMBL14900853 0.82 DGAT1 (0.36) ALDH1A1NPC1RAB9ADGAT1NAMPT
SCHEMBL16650270 0.82 NPC1 (0.33) ALDH1A1NPC1RAB9ADGAT1

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 10 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-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-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-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
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 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-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.