SCHEMBL15975697

SCHEMBL15975697

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

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
HTT P42858 1/20 0.36
DGAT1 O75907 1/20 0.35
TP53 P04637 1/20 0.34
CYP2A6 P11509 2/20 0.33
MAPK1 P28482 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
POLB P06746 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
ELANE P08246 1/20 0.33
GAA P10253 2/20 0.32
USP2 O75604 1/20 0.32
ATM Q13315 1/20 0.32
ADORA3 P0DMS8 1/20 0.32
CYP2E1 P05181 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
SCHEMBL15975689 0.90 NPC1 (0.37) ALDH1A1NPC1RAB9AHTTDGAT1
SCHEMBL14904663 0.87 ALDH1A1 (0.40) ALDH1A1NPC1RAB9AHTTDGAT1
SCHEMBL14904646 0.87 ALDH1A1 (0.37) ALDH1A1NPC1RAB9AHTTDGAT1
SCHEMBL18627103 0.86 NPC1 (0.35) ALDH1A1NPC1RAB9AHTTDGAT1
SCHEMBL18627105 0.86 NPC1 (0.36) ALDH1A1NPC1RAB9AHTTDGAT1
SCHEMBL15363310 0.86 NPC1 (0.36) ALDH1A1NPC1RAB9AHTTDGAT1
SCHEMBL15975690 0.85 NPC1 (0.34) ALDH1A1NPC1RAB9AHTTDGAT1
SCHEMBL15363522 0.83 NPC1 (0.35) ALDH1A1NPC1RAB9AHTTDGAT1
SCHEMBL18024988 0.83 DGAT1 (0.37) ALDH1A1NPC1RAB9AHTTDGAT1
SCHEMBL4969785 0.83 NPC1 (0.37) ALDH1A1NPC1RAB9AHTTDGAT1

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-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-20150335022-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2015-11-26 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 (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-20150335022-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO ACHE, DDT, PTMS ALDH1A1 1073/4885NPC1 3920/4885RAB9A 980/4885
US-20200055846-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.