SCHEMBL13048909

SCHEMBL13048909

CCN(C(=O)Cc1cccs1)c1sc(-c2cccnc2)nc1Cl

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.68
HSD17B10 Q99714 5/20 0.68
MAPT P10636 1/20 0.68
HTT P42858 1/20 0.68
KDM4E B2RXH2 6/20 0.58
SMN1; SMN2 Q16637 3/20 0.58
NPC1 O15118 2/20 0.58
POLB P06746 2/20 0.45
PKM P14618 1/20 0.45
RAB9A P51151 2/20 0.44
ALOX15 P16050 2/20 0.44
HPGD P15428 1/20 0.44
CDC7 O00311 1/20 0.42
DBF4 Q9UBU7 1/20 0.42
MAPK1 P28482 1/20 0.41
USP2 O75604 1/20 0.41
S1PR1 P21453 2/20 0.40
F2 P00734 2/20 0.40
KMT2A Q03164 2/20 0.40
KLKB1 P03952 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
SCHEMBL13048935 0.87 ALDH1A1 (0.50) ALDH1A1HSD17B10MAPTHTTKDM4E
SCHEMBL13048919 0.86 HSD17B10 (0.52) ALDH1A1HSD17B10MAPTHTTKDM4E
SCHEMBL13048925 0.85 ALDH1A1 (0.48) ALDH1A1HSD17B10MAPTHTTKDM4E
SCHEMBL17589803 0.85 ALDH1A1 (0.51) ALDH1A1HSD17B10MAPTHTTKDM4E
SCHEMBL13048966 0.84 S1PR1 (0.48) ALDH1A1HSD17B10MAPTHTTKDM4E
SCHEMBL13048876 0.83 ALDH1A1 (0.47) ALDH1A1HSD17B10MAPTHTTKDM4E
SCHEMBL23726147 0.83 HSD17B10 (0.48) ALDH1A1HSD17B10MAPTHTTKDM4E
SCHEMBL13048880 0.82 NPC1 (0.46) ALDH1A1HSD17B10MAPTHTTKDM4E
SCHEMBL13048877 0.82 L3MBTL1 (0.54) ALDH1A1HSD17B10MAPTHTTKDM4E
SCHEMBL17589730 0.82 ALDH1A1 (0.44) ALDH1A1HSD17B10MAPTHTTKDM4E

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 ALDH1A1 1636/4885HSD17B10 2197/4885MAPT 3518/4885
US-20130089622-A1 PESTICIDAL COMPOSITIONS ACHE, DDT, PRDX6 ALDH1A1 1636/4885HSD17B10 2197/4885MAPT 3518/4885
US-20150045218-A1 PESTICIDAL COMPOSITIONS ACHE, DDT, PRDX6 ALDH1A1 1636/4885HSD17B10 2197/4885MAPT 3518/4885
US-20130072382-A1 PESTICIDAL COMPOSITIONS ACHE, DDT, PRDX6 ALDH1A1 1636/4885HSD17B10 2197/4885MAPT 3518/4885

“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.