SCHEMBL12620405

SCHEMBL12620405

N=C(NCl)SCc1ccc(C(F)(F)F)nc1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ DAO P14920 3/20 0.43
▸ IDO1 P14902 2/20 0.39
▸ TRPV4 Q9HBA0 1/20 0.38
▸ KDM1A O60341 1/20 0.37
▸ MAOA P21397 1/20 0.37
▸ MAOB P27338 1/20 0.37
▸ KCNH2 Q12809 2/20 0.36
▸ TKT P29401 1/20 0.35
▸ CNR1 P21554 1/20 0.35
▸ CNR2 P34972 1/20 0.35
▸ TRPV1 Q8NER1 1/20 0.34
▸ NAMPT P43490 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP3A5 P20815 1/20 0.33
▸ PPARD Q03181 1/20 0.33
▸ KIT P10721 1/20 0.33

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
SCHEMBL9612336 0.81 IDO1 (0.61) DAOIDO1
Hydrochloric Acid SCHEMBL20677852 0.79 IDO1 (0.62) IDO1
SCHEMBL14450873 0.75 DAO (0.45) DAOIDO1TRPV4KDM1AMAOA
SCHEMBL13356156 0.72 DAO (0.50) DAOTRPV4KDM1AMAOAMAOB
SCHEMBL1146015 0.72 DAO (0.50) DAOTRPV4KDM1AMAOAMAOB
SCHEMBL688551 0.72 DAO (0.50) DAOTRPV4KDM1AMAOAMAOB
SCHEMBL13633817 0.71 IDO1 (0.60) IDO1
SCHEMBL132198 0.69 TRPV4 (0.52) DAOTRPV4KDM1AMAOAMAOB
SCHEMBL345116 0.69 TRPV4 (0.52) DAOTRPV4KDM1AMAOAMAOB
SCHEMBL317731 0.69 TRPV4 (0.52) DAOTRPV4KDM1AMAOAMAOB

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9125412-B2 Stable insecticide compositions and methods for producing same DOW AGROSCIENCES LLC (US) 2015-09-08 — — US disclosed
US-9012654-B2 Insecticidal N-substituted (6-haloalkylpyridin-3-yl)-alkyl sulfoximines DOW AGROSCIENCES LLC (US) 2015-04-21 — — US disclosed
US-20140135362-A1 INSECTICIDAL N-SUBSTITUTED (6-HALOALKYLPYRIDIN-3-YL)-ALKYL SULFOXIMINES DOW AGROSCIENCES LLC (US) 2014-05-15 — — US disclosed
US-8669278-B2 Insecticidal N-substituted (6-haloalkylpyridin-3-yl)alkyl sulfoximines DOW AGROSCIENCES, LLC. (US) 2014-03-11 — — US disclosed
US-8507532-B2 Stable insecticide compositions and methods for producing same DOW AGROSCIENCES, LLC. (US) 2013-08-13 — — US disclosed
US-20120329740-A1 INSECTICIDAL N-SUBSTITUTED (6-HALOOALKYLPYRIDIN-3-YL)-ALKYL SULFOXIMINES DOW AGROSCIENCES LLC (US) 2012-12-27 — — US disclosed
US-20120316067-A1 INSECTICIDAL N-SUBSTITUTED (6-HALOOALKYLPYRIDIN-3-YL)-ALKYL SULFOXIMINES DOW AGROSCIENCES LLC (US) 2012-12-13 — — US disclosed
US-7960354-B2 Synergistic pesticidal mixtures DOW AGROSCIENCES LLC (US) 2011-06-14 — — US disclosed
US-20100168178-A1 Stable insecticide compositions and methods for producing same DOW AGROSCIENCES, LLC 2010-07-01 — — US disclosed
US-20100168177-A1 Stable insecticide compositions DOW AGROSCIENCES, LLC 2010-07-01 — — US disclosed
US-20090325892-A1 Synergistic pesticidal mixtures DOW AGROSCIENCES LLC (US) 2009-12-31 — — 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 (6 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-20100168178-A1 Stable insecticide compositions and methods for producing same DDT, AGPS, SMOX DAO 73/4885IDO1 1135/4885TRPV4 3905/4885
US-20100168177-A1 Stable insecticide compositions DDT, PIR, SPOUT1 DAO 79/4885IDO1 178/4885TRPV4 2049/4885
US-20120316067-A1 INSECTICIDAL N-SUBSTITUTED (6-HALOOALKYLPYRIDIN-3-YL)-ALKYL SULFOXIMINES PRDX6, DDT, HDHD5 DAO 247/4885IDO1 239/4885TRPV4 2204/4885
US-20120329740-A1 INSECTICIDAL N-SUBSTITUTED (6-HALOOALKYLPYRIDIN-3-YL)-ALKYL SULFOXIMINES PRDX6, DDT, HDHD5 DAO 247/4885IDO1 239/4885TRPV4 2204/4885
US-20090325892-A1 Synergistic pesticidal mixtures ACHE, DDT, PDE1C DAO 2015/4885IDO1 312/4885TRPV4 792/4885
US-20140135362-A1 INSECTICIDAL N-SUBSTITUTED (6-HALOALKYLPYRIDIN-3-YL)-ALKYL SULFOXIMINES NPEPPS, HDHD5, PRDX6 DAO 163/4885IDO1 218/4885TRPV4 1763/4885

“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.

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