SCHEMBL13048845

SCHEMBL13048845

CN(C(=O)CCS(C)(=O)=O)c1sc(-c2cccnc2)nc1Br

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.41
ALDH1A1 P00352 3/20 0.41
MAPT P10636 2/20 0.41
POLB P06746 1/20 0.41
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 2/20 0.41
LMNA P02545 1/20 0.41
CYP2C19 P33261 1/20 0.41
HSD17B10 Q99714 6/20 0.40
TSHR P16473 3/20 0.40
GFER P55789 1/20 0.39
CDC7 O00311 2/20 0.38
DBF4 Q9UBU7 2/20 0.38
PTGS2 P35354 1/20 0.37
HDAC1 Q13547 2/20 0.36
HDAC2 Q92769 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
SCHEMBL3744188 0.88 CYP1A2 (0.49) KDM4EALDH1A1MAPTCYP1A2CYP3A4
SCHEMBL13074696 0.88 CYP1A2 (0.41) KDM4EALDH1A1MAPTPOLBCYP1A2
SCHEMBL13048010 0.88 HSD17B10 (0.42) KDM4EALDH1A1MAPTPOLBCYP1A2
SCHEMBL17589913 0.87 KDM4E (0.44) KDM4EALDH1A1MAPTPOLBCYP1A2
SCHEMBL13048824 0.84 KDM4E (0.42) KDM4EALDH1A1MAPTPOLBCYP1A2
SCHEMBL13048842 0.82 KDM4E (0.41) KDM4EALDH1A1MAPTPOLBCYP1A2
SCHEMBL13048703 0.82 LIPG (0.34)
SCHEMBL17589851 0.82 CYP1A2 (0.37) KDM4EALDH1A1MAPTPOLBCYP1A2
SCHEMBL17589723 0.81 HSD17B10 (0.45) KDM4EALDH1A1MAPTCYP1A2CYP3A4
SCHEMBL170988 0.80 HSD17B10 (0.62) KDM4EALDH1A1MAPTPOLBCYP1A2

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-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 KDM4E 3250/4885ALDH1A1 1636/4885MAPT 3518/4885
US-20130089622-A1 PESTICIDAL COMPOSITIONS ACHE, DDT, PRDX6 KDM4E 3250/4885ALDH1A1 1636/4885MAPT 3518/4885
US-20150045218-A1 PESTICIDAL COMPOSITIONS ACHE, DDT, PRDX6 KDM4E 3250/4885ALDH1A1 1636/4885MAPT 3518/4885
US-20130072382-A1 PESTICIDAL COMPOSITIONS ACHE, DDT, PRDX6 KDM4E 3250/4885ALDH1A1 1636/4885MAPT 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.