SCHEMBL13048099

SCHEMBL13048099

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.39
CYP3A4 P08684 3/20 0.39
CYP2C19 P33261 2/20 0.39
LMNA P02545 1/20 0.39
HSD17B10 Q99714 6/20 0.39
TSHR P16473 3/20 0.39
KDM4E B2RXH2 6/20 0.39
MEN1 O00255 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
KMT2A Q03164 1/20 0.38
ALDH1A1 P00352 3/20 0.37
GFER P55789 1/20 0.37
CDC7 O00311 1/20 0.36
DBF4 Q9UBU7 1/20 0.36
MAPT P10636 2/20 0.35
POLB P06746 1/20 0.35
S1PR1 P21453 1/20 0.35
PDE10A Q9Y233 1/20 0.35
ALOX5 P09917 1/20 0.34

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
SCHEMBL13048084 0.84 HSD17B10 (0.40) CYP1A2CYP3A4CYP2C19LMNAHSD17B10
SCHEMBL255153 0.83 HSD17B10 (0.58) CYP1A2CYP3A4CYP2C19HSD17B10TSHR
SCHEMBL13048868 0.82 HSD17B10 (0.41) CYP1A2CYP3A4CYP2C19LMNAHSD17B10
SCHEMBL13047789 0.82 HSD17B10 (0.42) CYP1A2CYP3A4CYP2C19LMNAHSD17B10
SCHEMBL15109436 0.82 HSD17B10 (0.42) CYP1A2CYP3A4CYP2C19LMNAHSD17B10
SCHEMBL290640 0.81 CDC7 (0.45) CYP1A2CYP3A4CYP2C19LMNAHSD17B10
SCHEMBL13047624 0.81 HSD17B10 (0.41) CYP1A2CYP3A4CYP2C19LMNAHSD17B10
SCHEMBL13047952 0.80 KDM4E (0.39) CYP1A2CYP3A4CYP2C19LMNAHSD17B10
SCHEMBL13048025 0.80 CYP1A2 (0.46) CYP1A2CYP3A4CYP2C19LMNAHSD17B10
SCHEMBL13074949 0.79 CYP1A2 (0.45) CYP1A2CYP3A4CYP2C19LMNAHSD17B10

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
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 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.