SCHEMBL13048880

SCHEMBL13048880

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
CYP3A4 P08684 5/20 0.45
CYP1A2 P05177 3/20 0.45
CYP2C19 P33261 3/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
LMNA P02545 1/20 0.45
HSD17B10 Q99714 2/20 0.45
ALDH1A1 P00352 2/20 0.45
HTT P42858 2/20 0.45
MAPK1 P28482 1/20 0.45
MAPT P10636 1/20 0.45
USP2 O75604 1/20 0.45
S1PR1 P21453 4/20 0.44
CDC7 O00311 2/20 0.43
DBF4 Q9UBU7 2/20 0.43
CYP2C9 P11712 2/20 0.43
MEN1 O00255 1/20 0.43
CYP2D6 P10635 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL23726147 0.92 HSD17B10 (0.48) NPC1RAB9ACYP3A4CYP1A2CYP2C19
SCHEMBL13048229 0.87 NPC1 (0.44) NPC1RAB9ACYP3A4CYP1A2CYP2C19
SCHEMBL13048958 0.87 HTT (0.56) NPC1RAB9ACYP3A4CYP1A2CYP2C19
SCHEMBL13048882 0.86 NPC1 (0.43) NPC1RAB9ACYP3A4CYP1A2CYP2C19
SCHEMBL13048899 0.86 CYP3A4 (0.49) NPC1RAB9ACYP3A4CYP1A2CYP2C19
SCHEMBL13048877 0.85 L3MBTL1 (0.54) NPC1RAB9ACYP3A4CYP1A2CYP2C19
SCHEMBL17589730 0.85 ALDH1A1 (0.44) NPC1RAB9ACYP3A4CYP1A2CYP2C19
SCHEMBL13048881 0.85 NPC1 (0.42) NPC1RAB9ACYP3A4CYP1A2CYP2C19
SCHEMBL13048879 0.85 NPC1 (0.42) NPC1RAB9ACYP3A4CYP1A2CYP2C19
SCHEMBL13048941 0.85 S1PR1 (0.52) NPC1RAB9ACYP3A4CYP1A2CYP2C19

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 NPC1 3536/4885RAB9A 357/4885CYP3A4 1402/4885
US-20130089622-A1 PESTICIDAL COMPOSITIONS ACHE, DDT, PRDX6 NPC1 3536/4885RAB9A 357/4885CYP3A4 1402/4885
US-20150045218-A1 PESTICIDAL COMPOSITIONS ACHE, DDT, PRDX6 NPC1 3536/4885RAB9A 357/4885CYP3A4 1402/4885
US-20130072382-A1 PESTICIDAL COMPOSITIONS ACHE, DDT, PRDX6 NPC1 3536/4885RAB9A 357/4885CYP3A4 1402/4885

“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.