SCHEMBL13048867

SCHEMBL13048867

CC(CC(=O)N(C)c1sc(-c2cccnc2)nc1Cl)[S+](C)[O-]

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.41
CYP3A4 P08684 3/20 0.41
CYP2C19 P33261 2/20 0.41
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.41
HSD17B10 Q99714 7/20 0.41
TSHR P16473 3/20 0.41
MEN1 O00255 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
KMT2A Q03164 1/20 0.40
KDM4E B2RXH2 5/20 0.39
CDC7 O00311 2/20 0.38
DBF4 Q9UBU7 2/20 0.38
GFER P55789 1/20 0.37
ALDH1A1 P00352 1/20 0.37
FBP1 P09467 1/20 0.36
MAPT P10636 1/20 0.36
MAPK1 P28482 1/20 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
SCHEMBL13074602 0.89 CYP1A2 (0.42) CYP1A2CYP3A4CYP2C19LMNAPOLB
SCHEMBL13048872 0.89 HSD17B10 (0.40) CYP1A2CYP3A4CYP2C19LMNAPOLB
SCHEMBL13048840 0.88 CYP1A2 (0.41) CYP1A2CYP3A4CYP2C19LMNAPOLB
SCHEMBL13048870 0.85 HSD17B10 (0.41) CYP1A2CYP3A4CYP2C19LMNAPOLB
SCHEMBL13047952 0.84 KDM4E (0.39) CYP1A2CYP3A4CYP2C19LMNAPOLB
SCHEMBL13048022 0.84 CYP1A2 (0.44) CYP1A2CYP3A4CYP2C19LMNAPOLB
SCHEMBL13047789 0.84 HSD17B10 (0.42) CYP1A2CYP3A4CYP2C19LMNAPOLB
SCHEMBL15109436 0.84 HSD17B10 (0.42) CYP1A2CYP3A4CYP2C19LMNAPOLB
SCHEMBL13048868 0.82 HSD17B10 (0.41) CYP1A2CYP3A4CYP2C19LMNAPOLB
SCHEMBL13047953 0.82 CYP3A4 (0.45) CYP1A2CYP3A4CYP2C19LMNAPOLB

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-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
WO-2010129497-A1 PESTICIDAL COMPOSITIONS DOW AGROSCIENCES LLC (US) 2010-11-11 WO 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 1402/4885CYP2C19 1003/4885
US-20130089622-A1 PESTICIDAL COMPOSITIONS ACHE, DDT, PRDX6 CYP1A2 327/4885CYP3A4 1402/4885CYP2C19 1003/4885
US-20150045218-A1 PESTICIDAL COMPOSITIONS ACHE, DDT, PRDX6 CYP1A2 327/4885CYP3A4 1402/4885CYP2C19 1003/4885
US-20130072382-A1 PESTICIDAL COMPOSITIONS ACHE, DDT, PRDX6 CYP1A2 327/4885CYP3A4 1402/4885CYP2C19 1003/4885

“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.