SCHEMBL1037075

SCHEMBL1037075

CNC(=O)c1cn[c]c(Cl)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.43
SCN2A Q99250 1/20 0.43
SCN3A Q9NY46 1/20 0.43
SCN10A Q9Y5Y9 1/20 0.43
RAF1 P04049 2/20 0.40
HPGD P15428 2/20 0.38
ALDH1A1 P00352 1/20 0.38
PLK1 P53350 4/20 0.38
BRD4 O60885 1/20 0.38
HDAC8 Q9BY41 2/20 0.37
HDAC6 Q9UBN7 2/20 0.37
HDAC2 Q92769 1/20 0.37
HPGDS O60760 2/20 0.37
PSMD14 O00487 1/20 0.37
STAMBP O95630 1/20 0.37
COPS5 Q92905 1/20 0.37
TSHR P16473 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MKNK1 Q9BUB5 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
SCHEMBL4921292 0.80 RAF1 (0.39) SCN9ASCN2ASCN3ASCN10ARAF1
SCHEMBL4926896 0.79 CA5A (0.35) HTTSMN1; SMN2MKNK1MKNK2
SCHEMBL3408393 0.79 PLK1 (0.38) SCN9ASCN2ASCN3ASCN10ARAF1
SCHEMBL1032198 0.79 ATM (0.47) HPGDALDH1A1PSMD14TSHRHTT
SCHEMBL3717205 0.77 HCAR2 (0.48) ALDH1A1TSHR
SCHEMBL1035373 0.76 NNMT (0.39) HPGDSPSMD14STAMBPCOPS5TSHR
SCHEMBL3706966 0.75 ALDH1A1 (0.35) HPGDALDH1A1BRD4HTTSMN1; SMN2
SCHEMBL666413 0.72 PLK1 (0.45) HPGDPLK1HDAC8HDAC6HDAC2
SCHEMBL17045484 0.70 HCAR2 (0.60) SCN9ASCN2ASCN3ASCN10ARAF1
SCHEMBL5909485 0.70 RAF1 (0.53) RAF1HPGDALDH1A1PLK1HDAC8

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 26 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
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
US-8299262-B2 Pyridylmethyl-sulfonamide compounds BASF SE (DE) 2012-10-30 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
US-20110039695-A1 Substituted Pyridazinylmethyl Sulfonamides BASF SE (DE) 2011-02-17 US disclosed
EP-2276746-A1 SUBSTITUTED PYRIDAZINYLMETHYL SULFONAMIDES BASF SE (DE) 2011-01-26 EP disclosed
EP-2262794-A1 SULFONAMIDE COMPOUNDS AND THEIR USE AS FUNGICIDE BASF SE (DE) 2010-12-22 EP disclosed
US-20100317516-A1 Sulfonamide Compounds And Their Use As Fungicide BASF SE (DE) 2010-12-16 US disclosed
WO-2009071449-A1 PYRIDYLMETHYL-SULFONAMIDE COMPOUNDS BASF SE (DE) 2009-06-11 WO disclosed
US-20080227796-A1 7-Amino-6-Hetaryl-1,2,4-Triazolo[1,5-A]Pyrimidine Compounds and the Use Thereof for Controlling Pathogenic Fungi BASF AKTIENGESELLSCHAFT (DE) 2008-09-18 US disclosed
US-20080132412-A1 7-Amino-6-Heteroaryl-1,2,4-Triazolo[1,5-A]Pyrimidines and Their Use for Controlling Harmful Fungi BASF AKTIENGESELLSCHAFT (DE) 2008-06-05 US disclosed
EP-1828190-A1 7-AMINO-6-HETEROARYL-1,2,4-TRIAZOLOÝ1,5-A¨PYRIMIDINES AND TO THE USE THEREOF FOR COMBATING PATHOGENIC FUNGI BASF AKTIENGESELLSCHAFT (DE) 2007-09-05 EP disclosed
EP-1828191-A2 7-AMINO-6-HETARYL-1,2,4-TRIAZOLO[1,5-A]PYRIMIDINE COMPOUNDS AND THE USE THEREOF FOR CONTROLLING PATHOGENIC FUNGI BASF AKTIENGESELLSCHAFT (DE) 2007-09-05 EP disclosed
WO-2006066818-A2 7-AMINO-6-HETARYL-1,2,4-TRIAZOLO[1,5-A]PYRIMIDINE COMPOUNDS AND THE USE THEREOF FOR CONTROLLING PATHOGENIC FUNGI BASF AKTIENGESELLSCHAFT (DE) 2006-06-29 WO disclosed
WO-2006066799-A1 7-AMINO-6-HETEROARYL-1,2,4-TRIAZOLO[1,5-A]PYRIMIDINES AND TO THE USE THEREOF FOR COMBATING PATHOGENIC FUNGI BASF AKTIENGESELLSCHAFT (DE) 2006-06-29 WO disclosed
US-4139623-A HYPOTENSIVE AGENTS C-G CORP. (US) 1979-02-13 US disclosed
US-4027027-A BETA-RECEPTOR-BLOCKERS, HYPOTENSIVES AND VALODILATORS; FOR TREATING ARRYTHMIAS AND ANGINA PECTORIS CIBA-GEIGY CORPORATION (US) 1977-05-31 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 (7 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-20110039695-A1 Substituted Pyridazinylmethyl Sulfonamides STS, PRXL2A, CNKSR1 SCN9A 3247/4885SCN2A 1157/4885SCN3A 2203/4885
US-20080132412-A1 7-Amino-6-Heteroaryl-1,2,4-Triazolo[1,5-A]Pyrimidines and Their Use for Controlling Harmful Fungi HINT1, PRF1, ERG28 SCN9A 4430/4885SCN2A 4241/4885SCN3A 4478/4885
US-20100317516-A1 Sulfonamide Compounds And Their Use As Fungicide STS, ARSA, CYP4X1 SCN9A 862/4885SCN2A 416/4885SCN3A 1331/4885
US-20110045974-A1 Substituted Triazinylmethyl Sulfonamides STS, TST, TPST2 SCN9A 2130/4885SCN2A 684/4885SCN3A 1594/4885
US-20100249077-A1 Pyridylmethyl-Sulfonamide Compounds CBR3, CBR1, CBS SCN9A 795/4885SCN2A 195/4885SCN3A 232/4885
US-20110065577-A1 Substituted pyridin-4-yl-methyl sulfonamides as fungicides CYP4X1, PNPO, PADI1 SCN9A 2329/4885SCN2A 1516/4885SCN3A 2745/4885
US-20080227796-A1 7-Amino-6-Hetaryl-1,2,4-Triazolo[1,5-A]Pyrimidine Compounds and the Use Thereof for Controlling Pathogenic Fungi CYP8B1, CBR3, HDHD5 SCN9A 3799/4885SCN2A 3442/4885SCN3A 2737/4885

“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.