SCHEMBL9612336

SCHEMBL9612336

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

nearest known ligand 0.61

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 18/20 0.61
▸ NOS1 P29475 2/20 0.56
▸ NOS3 P29474 1/20 0.47
▸ NOS2 P35228 1/20 0.47
▸ DAO P14920 1/20 0.45

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
Hydrochloric Acid SCHEMBL20677852 0.98 IDO1 (0.62) IDO1NOS1NOS3NOS2
SCHEMBL14450873 0.84 DAO (0.45) IDO1NOS1DAO
SCHEMBL12620405 0.81 DAO (0.43) IDO1DAO
SCHEMBL13356156 0.78 DAO (0.50) DAO
SCHEMBL3773147 0.76 IDO1 (1.00) IDO1NOS1NOS3NOS2
SCHEMBL9610889 0.76 IDO1 (0.62) IDO1NOS1NOS3NOS2
SCHEMBL13007612 0.76 IDO1 (0.62) IDO1NOS1NOS3NOS2
SCHEMBL5450413 0.75 NOS1 (1.00) IDO1NOS1NOS3NOS2
SCHEMBL688551 0.75 DAO (0.50) DAO
SCHEMBL1146015 0.75 DAO (0.50) DAO

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 58 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190031624-A1 THERAPEUTIC COMPOUNDS AND METHODS TO TREAT INFECTION UNIV RUTGERS (US) 2019-01-31 — — US disclosed
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-20150080432-A1 INSECTICIDAL N-SUBSTITUTED (6-HALOALKYLPYRIDIN-3-YL)-ALKYL SULFOXIMINES DOW AGROSCIENCES LLC (US) 2015-03-19 — — US disclosed
US-8912222-B2 Method to control insects resistant to common insecticides DOW AGROSCIENCES, LLC. (US) 2014-12-16 — — US disclosed
US-20140315840-A1 STABLE INSECTICIDE COMPOSITIONS AND METHODS FOR PRODUCING SAME CORTEVA AGRISCIENCE LLC 2014-10-23 — — US disclosed
US-8846717-B2 Stable insecticide compositions and methods for producing same DOW AGROSCIENCES, LLC. (US) 2014-09-30 — — 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-20130288897-A1 SYNERGISTIC PESTICIDAL COMPOSITIONS DOW AGROSCIENCES LLC (US) 2013-10-31 — — US disclosed
US-20090325892-A1 Synergistic pesticidal mixtures DOW AGROSCIENCES LLC (US) 2009-12-31 — — US disclosed
US-20090325892-A1 Synergistic pesticidal mixtures DOW AGROSCIENCES LLC (US) 2009-12-31 — — US disclosed
WO-2009134224-A1 SYNERGISTIC PESTICIDAL MIXTURES DOW AGROSCIENCES LLC (US) 2009-11-05 — — WO disclosed
WO-2009014891-A2 INCREASING PLANT VIGOR DOW AGROSCIENCES LLC (US) 2009-01-29 — — WO disclosed
US-20090023782-A1 INCREASING PLANT VIGOR DOW AGROSCIENCES LLC (IN) 2009-01-22 — — US disclosed
US-20090023782-A1 INCREASING PLANT VIGOR DOW AGROSCIENCES LLC (IN) 2009-01-22 — — US disclosed
US-20070299264-A1 Method to control insects resistant to common insecticides DOW AGROSCIENCES LLC 2007-12-27 — — US disclosed
US-20070299264-A1 Method to control insects resistant to common insecticides DOW AGROSCIENCES LLC 2007-12-27 — — US disclosed
US-20070203191-A1 Insecticidal N-substituted (6-haloalkylpyridin-3-yl)alkyl sulfoximines CORTEVA AGRISCIENCE LLC 2007-08-30 — — US disclosed
US-20070203191-A1 Insecticidal N-substituted (6-haloalkylpyridin-3-yl)alkyl sulfoximines CORTEVA AGRISCIENCE LLC 2007-08-30 — — 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 (9 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-20190031624-A1 THERAPEUTIC COMPOUNDS AND METHODS TO TREAT INFECTION ABCB11, SLC10A1, SLC47A1 IDO1 3165/4885NOS1 1199/4885NOS3 1492/4885
US-20090023782-A1 INCREASING PLANT VIGOR HDLBP, VPS4B, VPS28 IDO1 2360/4885NOS1 1691/4885NOS3 1416/4885
US-20140315840-A1 STABLE INSECTICIDE COMPOSITIONS AND METHODS FOR PRODUCING SAME DDT, AGPS, SMOX IDO1 1135/4885NOS1 3321/4885NOS3 2667/4885
US-20150080432-A1 INSECTICIDAL N-SUBSTITUTED (6-HALOALKYLPYRIDIN-3-YL)-ALKYL SULFOXIMINES NPEPPS, HDHD5, PRDX6 IDO1 218/4885NOS1 2192/4885NOS3 628/4885
US-20070203191-A1 Insecticidal N-substituted (6-haloalkylpyridin-3-yl)alkyl sulfoximines NPEPPS, PRDX6, HDHD5 IDO1 200/4885NOS1 1719/4885NOS3 453/4885
US-20070299264-A1 Method to control insects resistant to common insecticides DDT, GSS, AS3MT IDO1 1362/4885NOS1 980/4885NOS3 449/4885
US-20090325892-A1 Synergistic pesticidal mixtures ACHE, DDT, PDE1C IDO1 312/4885NOS1 2538/4885NOS3 825/4885
US-20130288897-A1 SYNERGISTIC PESTICIDAL COMPOSITIONS DDT, ACHE, DPP3 IDO1 319/4885NOS1 2886/4885NOS3 1254/4885
US-20140135362-A1 INSECTICIDAL N-SUBSTITUTED (6-HALOALKYLPYRIDIN-3-YL)-ALKYL SULFOXIMINES NPEPPS, HDHD5, PRDX6 IDO1 218/4885NOS1 2192/4885NOS3 628/4885

“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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