SCHEMBL13048878

SCHEMBL13048878

CCN(C(=O)c1cscn1)c1sc(-c2cccnc2)nc1Cl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
HSD17B10 Q99714 4/20 0.41
HTT P42858 2/20 0.41
MAPK1 P28482 2/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
USP2 O75604 1/20 0.41
TSHR P16473 1/20 0.41
S1PR1 P21453 5/20 0.40
HDAC2 Q92769 1/20 0.39
CYP1A2 P05177 3/20 0.39
CYP3A4 P08684 3/20 0.39
CYP2C19 P33261 2/20 0.39
LMNA P02545 1/20 0.39
CDC7 O00311 1/20 0.38
DBF4 Q9UBU7 1/20 0.38
TLR7 Q9NYK1 1/20 0.38
MEN1 O00255 1/20 0.38
CYP2D6 P10635 1/20 0.38

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
SCHEMBL13048964 0.88 HSD17B10 (0.53) NPC1RAB9AHSD17B10HTTMAPK1
SCHEMBL13048350 0.87 HSD17B10 (0.50) NPC1RAB9AHSD17B10MAPK1TSHR
SCHEMBL13048955 0.83 NPC1 (0.43) NPC1RAB9AHSD17B10HTTMAPK1
SCHEMBL13048958 0.83 HTT (0.56) NPC1RAB9AHSD17B10HTTMAPK1
SCHEMBL13048874 0.83 S1PR1 (0.45) NPC1RAB9AHSD17B10HTTMAPK1
SCHEMBL23726147 0.83 HSD17B10 (0.48) NPC1RAB9AHSD17B10HTTMAPK1
SCHEMBL13048880 0.82 NPC1 (0.46) NPC1RAB9AHSD17B10HTTMAPK1
SCHEMBL13048941 0.82 S1PR1 (0.52) NPC1RAB9AHSD17B10HTTMAPK1
SCHEMBL13048921 0.82 CYP1A2 (0.45) NPC1RAB9AHSD17B10HTTMAPK1
SCHEMBL13048968 0.81 RAB9A (0.67) NPC1RAB9AHSD17B10HTTALDH1A1

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9006446-B2 Pesticidal compositions DOW AGROSCIENCES LLC (US) 2015-04-14 US disclosed
US-9006446-B2 Pesticidal compositions DOW AGROSCIENCES LLC (US) 2015-04-14 US disclosed
US-20150045218-A1 PESTICIDAL COMPOSITIONS DOW AGROSCIENCES LLC (US) 2015-02-12 US disclosed
US-20150045218-A1 PESTICIDAL COMPOSITIONS DOW AGROSCIENCES LLC (US) 2015-02-12 US disclosed
US-8853246-B2 Pesticidal compositions DOW AGROSCIENCES, LLC. (US) 2014-10-07 US disclosed
US-8853246-B2 Pesticidal compositions DOW AGROSCIENCES, LLC. (US) 2014-10-07 US disclosed
US-20130089622-A1 PESTICIDAL COMPOSITIONS DOW AGROSCIENCES LLC (US) 2013-04-11 US disclosed
US-20130089622-A1 PESTICIDAL COMPOSITIONS DOW AGROSCIENCES LLC (US) 2013-04-11 US disclosed
US-20130072382-A1 PESTICIDAL COMPOSITIONS DOW AGROSCIENCES LLC (US) 2013-03-21 US disclosed
US-20130072382-A1 PESTICIDAL COMPOSITIONS DOW AGROSCIENCES LLC (US) 2013-03-21 US disclosed
US-8350044-B2 Pesticidal compositions DOW AGROSCIENCES, LLC. (US) 2013-01-08 US disclosed
US-8350044-B2 Pesticidal compositions DOW AGROSCIENCES, LLC. (US) 2013-01-08 US disclosed
US-20100292253-A1 PESTICIDAL COMPOSITIONS DOW AGROSCIENCES LLC (US) 2010-11-18 US disclosed
US-20100292253-A1 PESTICIDAL COMPOSITIONS DOW AGROSCIENCES LLC (US) 2010-11-18 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 (4 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-20100292253-A1 PESTICIDAL COMPOSITIONS ACHE, DDT, PRDX6 NPC1 3536/4885RAB9A 357/4885HSD17B10 2197/4885
US-20130089622-A1 PESTICIDAL COMPOSITIONS ACHE, DDT, PRDX6 NPC1 3536/4885RAB9A 357/4885HSD17B10 2197/4885
US-20150045218-A1 PESTICIDAL COMPOSITIONS ACHE, DDT, PRDX6 NPC1 3536/4885RAB9A 357/4885HSD17B10 2197/4885
US-20130072382-A1 PESTICIDAL COMPOSITIONS ACHE, DDT, PRDX6 NPC1 3536/4885RAB9A 357/4885HSD17B10 2197/4885

“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.