SCHEMBL13048964

SCHEMBL13048964

CCN(C(=O)c1ccccn1)c1sc(-c2cccnc2)nc1Cl

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 6/20 0.53
TLR7 Q9NYK1 1/20 0.48
MAPK1 P28482 1/20 0.45
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
S1PR1 P21453 5/20 0.43
HTT P42858 2/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
USP2 O75604 1/20 0.43
TSHR P16473 1/20 0.42
HDAC2 Q92769 1/20 0.41
IRAK4 Q9NWZ3 2/20 0.40
KDM4E B2RXH2 1/20 0.40
GFER P55789 1/20 0.40
LMNA P02545 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C19 P33261 1/20 0.40

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
SCHEMBL13048878 0.88 NPC1 (0.44) HSD17B10TLR7MAPK1NPC1RAB9A
SCHEMBL13048955 0.85 NPC1 (0.43) HSD17B10MAPK1NPC1RAB9AS1PR1
SCHEMBL13048958 0.85 HTT (0.56) HSD17B10MAPK1NPC1RAB9AS1PR1
SCHEMBL23726147 0.85 HSD17B10 (0.48) HSD17B10MAPK1NPC1RAB9AS1PR1
SCHEMBL13048880 0.84 NPC1 (0.46) HSD17B10MAPK1NPC1RAB9AS1PR1
SCHEMBL13048941 0.83 S1PR1 (0.52) HSD17B10MAPK1NPC1RAB9AS1PR1
SCHEMBL13048874 0.83 S1PR1 (0.45) HSD17B10MAPK1NPC1RAB9AS1PR1
SCHEMBL13048938 0.82 USP2 (0.49) HSD17B10MAPK1NPC1RAB9AS1PR1
SCHEMBL13048919 0.82 HSD17B10 (0.52) HSD17B10NPC1RAB9AS1PR1HTT
SCHEMBL13048899 0.82 CYP3A4 (0.49) HSD17B10MAPK1NPC1RAB9AS1PR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2614826-B1 Process for preparation of thiazole derivatives DOW AGROSCIENCES LLC (US) 2017-03-01 EP disclosed
EP-2614825-B1 Process for the preparation of thiazole derivatives DOW AGROSCIENCES LLC (US) 2016-03-16 EP disclosed
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 HSD17B10 2197/4885TLR7 4828/4885MAPK1 3802/4885
US-20130089622-A1 PESTICIDAL COMPOSITIONS ACHE, DDT, PRDX6 HSD17B10 2197/4885TLR7 4828/4885MAPK1 3802/4885
US-20150045218-A1 PESTICIDAL COMPOSITIONS ACHE, DDT, PRDX6 HSD17B10 2197/4885TLR7 4828/4885MAPK1 3802/4885
US-20130072382-A1 PESTICIDAL COMPOSITIONS ACHE, DDT, PRDX6 HSD17B10 2197/4885TLR7 4828/4885MAPK1 3802/4885

“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.