SCHEMBL727248

SCHEMBL727248

Nc1nc2c(c3c1ncn3CCCCNS(=O)(=O)c1cccc3cccnc13)CCCC2

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 6/20 0.52
QPCT Q16769 1/20 0.52
ALOX15 P16050 2/20 0.50
TSHR P16473 1/20 0.50
HTR6 P50406 3/20 0.47
HTR1A P08908 1/20 0.47
HTR2A P28223 1/20 0.47
PPARG P37231 1/20 0.45
KMT2A Q03164 4/20 0.44
ALDH1A1 P00352 3/20 0.44
GAA P10253 1/20 0.44
POLB P06746 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
MAPT P10636 1/20 0.40
RECQL P46063 1/20 0.40

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
SCHEMBL14516489 0.89 HTR7 (0.47) HTR7HTR6HTR1AHTR2AALDH1A1
SCHEMBL3814425 0.84 BCHE (0.44) HTR7HTR6HTR1AHTR2AALDH1A1
SCHEMBL3823319 0.83 FUCA1 (0.46) TSHRHTR6HTR1AKMT2AALDH1A1
SCHEMBL6773910 0.82 QPCT (0.52) HTR7QPCTALOX15TSHRHTR6
SCHEMBL727205 0.81 HTR2A (0.40) HTR7TSHRHTR6HTR2AALDH1A1
SCHEMBL14516490 0.81 TLR7 (0.41) ALOX15ALDH1A1SMN1; SMN2KDM4EMAPT
SCHEMBL14516480 0.81 SIGMAR1 (0.40) HTR7HTR6KMT2AALDH1A1POLB
SCHEMBL14516484 0.81 BCHE (0.49) HTR7ALOX15HTR1AHTR2AKMT2A
SCHEMBL14516479 0.81 BCHE (0.40) HTR7HTR6HTR1AKMT2AALDH1A1
SCHEMBL14516487 0.81 ALDH1A1 (0.38) KMT2AALDH1A1POLBKDM4EMAPT

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 10 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
US-7199131-B2 Sulfonamide and sulfamide substituted imidazoquinolines 3M INNOVATIVE PROPERTIES COMPANY (US) 2007-04-03 US disclosed
US-7199131-B2 Sulfonamide and sulfamide substituted imidazoquinolines 3M INNOVATIVE PROPERTIES COMPANY (US) 2007-04-03 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 (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 HTR7 4594/4885QPCT 1738/4885ALOX15 3359/4885

“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.