SCHEMBL15975689

SCHEMBL15975689

CCN(C(=O)CCSC)c1cn(-c2cccnc2)nc1Br

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
ALDH1A1 P00352 3/20 0.35
DGAT1 O75907 1/20 0.35
HTT P42858 1/20 0.34
TP53 P04637 1/20 0.33
MAPK1 P28482 2/20 0.32
CYP2A6 P11509 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ELANE P08246 1/20 0.32
CYP2C19 P33261 2/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2B6 P20813 1/20 0.31
USP2 O75604 1/20 0.31
ATM Q13315 1/20 0.31
F2 P00734 1/20 0.31
CYP1A2 P05177 1/20 0.31
HPGD P15428 1/20 0.31
KMT2A Q03164 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
SCHEMBL15975697 0.90 ALDH1A1 (0.38) NPC1RAB9AALDH1A1DGAT1HTT
SCHEMBL14904642 0.89 NPC1 (0.39) NPC1RAB9AALDH1A1DGAT1HTT
SCHEMBL2692300 0.88 ALDH1A1 (0.37) NPC1RAB9AALDH1A1DGAT1HTT
SCHEMBL15910375 0.88 NPC1 (0.36) NPC1RAB9AALDH1A1DGAT1HTT
SCHEMBL18627103 0.86 NPC1 (0.35) NPC1RAB9AALDH1A1DGAT1HTT
SCHEMBL15356985 0.86 DGAT1 (0.37) NPC1RAB9ADGAT1HTTTP53
SCHEMBL18024988 0.85 DGAT1 (0.37) NPC1RAB9AALDH1A1DGAT1HTT
SCHEMBL14904706 0.85 DGAT1 (0.40) NPC1RAB9AALDH1A1DGAT1HTT
SCHEMBL18627105 0.84 NPC1 (0.36) NPC1RAB9AALDH1A1DGAT1HTT
SCHEMBL15363310 0.84 NPC1 (0.36) NPC1RAB9AALDH1A1DGAT1HTT

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 17 patents. 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-9282739-B2 Pesticidal compositions and processes related thereto DOW AGROSCIENCES LLC (US) 2016-03-15 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20200055846-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO ACHE, DDT, PTMS NPC1 3920/4885RAB9A 980/4885ALDH1A1 1073/4885
US-10165775-B2 Pesticidal compositions and processes related thereto ACHE, DDT, PTMS NPC1 3920/4885RAB9A 980/4885ALDH1A1 1073/4885

“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.