SCHEMBL727247

SCHEMBL727247

Nc1nc2c(c3c1ncn3CCCCc1ccc3cccc(S(N)(=O)=O)c3n1)CCCC2

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
MAPK1 P28482 1/20 0.33
CA9 Q16790 1/20 0.33
HTR1A P08908 4/20 0.32
HTR3A P46098 4/20 0.32
HTR7 P34969 1/20 0.32
HRH1 P35367 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
SCHEMBL3814421 0.85 HTR1A (0.33) HTR1AHTR3AHTR7HRH1
SCHEMBL727248 0.77 HTR7 (0.52) HTR1AHTR7
SCHEMBL727204 0.77 KDM4E (0.31)
SCHEMBL14516489 0.76 HTR7 (0.47) HTR1AHTR7
SCHEMBL3814549 0.74 HTR1A (0.32) CA2HTR1A
SCHEMBL3817534 0.74 ACHE (0.34) MAPK1
SCHEMBL3176199 0.73 TK1 (0.43)
SCHEMBL8114300 0.72 CSNK2A2 (0.43) MAPK1
SCHEMBL5746870 0.72 BCHE (0.35) HTR1AHTR3AHTR7HRH1
SCHEMBL5749801 0.72 TLR7 (0.35) HTR1AHTR3AHTR7HRH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4833466-B2 2011-12-07 JP claimed
EP-1642580-B1 Sulfonamide substituted imidazoquinolines COLEY PHARM GROUP INC (US) 2009-08-19 EP claimed
EP-1198233-B1 SULFONAMIDE AND SULFAMIDE SUBSTITUTED IMIDAZOQUINOLINES 3M INNOVATIVE PROPERTIES CO (US) 2006-08-16 EP claimed
US-20040029877-A1 Sulfonamide and sulfamide substituted imidazoquinolines 3M INNOVATIVE PROPERTIES COMPANY 2004-02-12 US claimed
EP-1198233-A4 SULFONAMIDE AND SULFAMIDE SUBSTITUTED IMIDAZOQUINOLINES 3M INNOVATIVE PROPERTIES CO (US) 2002-07-24 EP claimed
EP-1198233-A1 SULFONAMIDE AND SULFAMIDE SUBSTITUTED IMIDAZOQUINOLINES 3M Innovative Properties Company (US) 2002-04-24 EP claimed
US-6331539-B1 INDUCE BIOSYNTHESIS OF INTERFERON ALPHA IN ANIMALS 3M INNOVATIVE PROPERTIES COMPANY 2001-12-18 US claimed
WO-2000076519-A1 SULFONAMIDE AND SULFAMIDE SUBSTITUTED IMIDAZOQUINOLINES 3M INNOVATIVE PROPERTIES COMPANY (US) 2000-12-21 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20040029877-A1 Sulfonamide and sulfamide substituted imidazoquinolines IFNG, IRF3, EIF2AK2 CA1 3448/4885CA2 2521/4885MAPK1 1326/4885

“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.