SCHEMBL1034870

SCHEMBL1034870

CCc1[c]ncc(C#N)c1

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.36
PTGER4 P35408 1/20 0.35
CYP11B2 P19099 1/20 0.32
MAPT P10636 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HTT P42858 1/20 0.32

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
SCHEMBL1035312 0.74
SCHEMBL1035647 0.73 GABRG2 (0.38) PTGER4CYP11B2MAPTHTT
SCHEMBL510463 0.73 CYP2A6 (0.43) CYP2A6
SCHEMBL2178462 0.71
SCHEMBL2177635 0.71
SCHEMBL2178756 0.71 HTT (0.35) HTT
SCHEMBL20554241 0.69
SCHEMBL20554164 0.69
SCHEMBL1026277 0.69
SCHEMBL2178442 0.69

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8299262-B2 Pyridylmethyl-sulfonamide compounds BASF SE (DE) 2012-10-30 US claimed
JP-2011506281-A 2011-03-03 JP claimed
EP-2262794-A1 SULFONAMIDE COMPOUNDS AND THEIR USE AS FUNGICIDE BASF SE (DE) 2010-12-22 EP claimed
US-20100317516-A1 Sulfonamide Compounds And Their Use As Fungicide BASF SE (DE) 2010-12-16 US claimed
US-20100249077-A1 Pyridylmethyl-Sulfonamide Compounds BASF SE (DE) 2010-09-30 US claimed
EP-2231605-A1 PYRIDYLMETHYL-SULFONAMIDE COMPOUNDS BASF SE (DE) 2010-09-29 EP claimed
WO-2009103650-A1 SULFONAMIDE COMPOUNDS AND THEIR USE AS FUNGICIDE BASF SE (DE) 2009-08-27 WO claimed
WO-2009071448-A1 PYRIDYLMETHYL-SULFONAMIDE COMPOUNDS BASF SE (DE) 2009-06-11 WO claimed
WO-2009071449-A1 PYRIDYLMETHYL-SULFONAMIDE COMPOUNDS BASF SE (DE) 2009-06-11 WO claimed
US-8299262-B2 Pyridylmethyl-sulfonamide compounds BASF SE (DE) 2012-10-30 US disclosed
US-20110166162-A1 1,2-Benzisothiazole Compounds Useful for Combating Animal Pests BASF SE (DE) 2011-07-07 US disclosed
EP-2297134-A1 SUBSTITUTED PYRIDIN-4 -YL-METHYL SULFONAMIDES AS FUNGICIDES BASF SE (DE) 2011-03-23 EP disclosed
US-20110065577-A1 Substituted pyridin-4-yl-methyl sulfonamides as fungicides BASF SE (DE) 2011-03-17 US disclosed
US-20110045974-A1 Substituted Triazinylmethyl Sulfonamides BASF SE (DE) 2011-02-24 US disclosed
WO-2009141292-A1 SUBSTITUTED HETEROARYLMETHYL SULFONAMIDES BASF SE (DE) 2009-11-26 WO disclosed
WO-2009124903-A1 SUBSTITUTED PYRIDAZINYLMETHYL SULFONAMIDES BASF SE (DE) 2009-10-15 WO disclosed
WO-2009112533-A1 SUBSTITUTED TRIAZINYLMETHYL SULFONAMIDES BASF SE (DE) 2009-09-17 WO disclosed
WO-2009103650-A1 SULFONAMIDE COMPOUNDS AND THEIR USE AS FUNGICIDE BASF SE (DE) 2009-08-27 WO disclosed
WO-2009071448-A1 PYRIDYLMETHYL-SULFONAMIDE COMPOUNDS BASF SE (DE) 2009-06-11 WO disclosed
WO-2009071449-A1 PYRIDYLMETHYL-SULFONAMIDE COMPOUNDS BASF SE (DE) 2009-06-11 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 (5 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-20100317516-A1 Sulfonamide Compounds And Their Use As Fungicide STS, ARSA, CYP4X1 CYP2A6 159/4885PTGER4 771/4885CYP11B2 734/4885
US-20110166162-A1 1,2-Benzisothiazole Compounds Useful for Combating Animal Pests GLRX3, CBR3, PRDX1 CYP2A6 1828/4885PTGER4 3430/4885CYP11B2 3916/4885
US-20110045974-A1 Substituted Triazinylmethyl Sulfonamides STS, TST, TPST2 CYP2A6 1360/4885PTGER4 2410/4885CYP11B2 1325/4885
US-20100249077-A1 Pyridylmethyl-Sulfonamide Compounds CBR3, CBR1, CBS CYP2A6 1071/4885PTGER4 777/4885CYP11B2 1203/4885
US-20110065577-A1 Substituted pyridin-4-yl-methyl sulfonamides as fungicides CYP4X1, PNPO, PADI1 CYP2A6 168/4885PTGER4 422/4885CYP11B2 700/4885

“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.