SCHEMBL13048870

SCHEMBL13048870

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

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 8/20 0.41
KDM4E B2RXH2 5/20 0.41
TSHR P16473 3/20 0.41
CYP1A2 P05177 3/20 0.39
CYP3A4 P08684 3/20 0.39
CYP2C19 P33261 2/20 0.39
LMNA P02545 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
POLB P06746 1/20 0.38
ALDH1A1 P00352 2/20 0.35
MAPT P10636 2/20 0.35
GFER P55789 1/20 0.35
FBP1 P09467 1/20 0.35
S1PR1 P21453 1/20 0.35
ALOX5 P09917 1/20 0.35

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
SCHEMBL13048945 0.87 NPC1 (0.41) HSD17B10KDM4ECYP1A2CYP3A4CYP2C19
SCHEMBL18569543 0.85 CYP1A2 (0.42) HSD17B10KDM4ETSHRCYP1A2CYP3A4
SCHEMBL13047952 0.85 KDM4E (0.39) HSD17B10KDM4ETSHRCYP1A2CYP3A4
SCHEMBL13048867 0.85 CYP1A2 (0.41) HSD17B10KDM4ETSHRCYP1A2CYP3A4
SCHEMBL13047953 0.85 CYP3A4 (0.45) HSD17B10KDM4ETSHRCYP1A2CYP3A4
SCHEMBL13048864 0.84 CYP1A2 (0.42) HSD17B10KDM4ETSHRCYP1A2CYP3A4
SCHEMBL13048416 0.81 CYP1A2 (0.44) HSD17B10KDM4ETSHRCYP1A2CYP3A4
SCHEMBL3745283 0.80 CYP3A4 (0.41) HSD17B10KDM4ETSHRCYP1A2CYP3A4
SCHEMBL13048329 0.80 CYP3A4 (0.43) HSD17B10KDM4ETSHRCYP1A2CYP3A4
SCHEMBL15047254 0.79 CYP1A2 (0.43) KDM4ECYP1A2CYP3A4CYP2C19LMNA

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 14 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-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 HSD17B10 2197/4885KDM4E 3250/4885TSHR 1205/4885
US-20130089622-A1 PESTICIDAL COMPOSITIONS ACHE, DDT, PRDX6 HSD17B10 2197/4885KDM4E 3250/4885TSHR 1205/4885
US-20150045218-A1 PESTICIDAL COMPOSITIONS ACHE, DDT, PRDX6 HSD17B10 2197/4885KDM4E 3250/4885TSHR 1205/4885
US-20130072382-A1 PESTICIDAL COMPOSITIONS ACHE, DDT, PRDX6 HSD17B10 2197/4885KDM4E 3250/4885TSHR 1205/4885

“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.