SCHEMBL13048890

SCHEMBL13048890

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.40
CYP3A4 P08684 3/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
ALDH1A1 P00352 3/20 0.39
HSD17B10 Q99714 2/20 0.39
HTT P42858 2/20 0.39
MAPT P10636 2/20 0.39
MAPK1 P28482 1/20 0.39
USP2 O75604 1/20 0.39
S1PR1 P21453 5/20 0.39
CYP2C19 P33261 2/20 0.39
LMNA P02545 1/20 0.39
MEN1 O00255 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
KMT2A Q03164 1/20 0.38
KDM4E B2RXH2 3/20 0.37
GFER P55789 1/20 0.37
CDC7 O00311 2/20 0.36

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
SCHEMBL18569379 0.88 NPC1 (0.41) CYP1A2CYP3A4NPC1RAB9AALDH1A1
SCHEMBL13048229 0.88 NPC1 (0.44) CYP1A2CYP3A4NPC1RAB9AALDH1A1
SCHEMBL3742288 0.87 NPC1 (0.41) CYP1A2CYP3A4NPC1RAB9AALDH1A1
SCHEMBL13048864 0.87 CYP1A2 (0.42) CYP1A2CYP3A4NPC1RAB9AALDH1A1
SCHEMBL17589914 0.86 CYP1A2 (0.38) CYP1A2CYP3A4ALDH1A1HTTMAPT
SCHEMBL13048879 0.86 NPC1 (0.42) CYP1A2CYP3A4NPC1RAB9AALDH1A1
SCHEMBL13048945 0.85 NPC1 (0.41) CYP1A2CYP3A4NPC1RAB9AALDH1A1
SCHEMBL13048343 0.84 CYP1A2 (0.43) CYP1A2CYP3A4NPC1RAB9AALDH1A1
SCHEMBL13048904 0.84 NPC1 (0.40) CYP1A2CYP3A4NPC1RAB9AALDH1A1
SCHEMBL17589789 0.84 NPC1 (0.41) CYP1A2CYP3A4NPC1RAB9AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2427191-B1 PESTICIDAL COMPOSITIONS 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 CYP1A2 327/4885CYP3A4 1402/4885NPC1 3536/4885
US-20130089622-A1 PESTICIDAL COMPOSITIONS ACHE, DDT, PRDX6 CYP1A2 327/4885CYP3A4 1402/4885NPC1 3536/4885
US-20150045218-A1 PESTICIDAL COMPOSITIONS ACHE, DDT, PRDX6 CYP1A2 327/4885CYP3A4 1402/4885NPC1 3536/4885
US-20130072382-A1 PESTICIDAL COMPOSITIONS ACHE, DDT, PRDX6 CYP1A2 327/4885CYP3A4 1402/4885NPC1 3536/4885

“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.