SCHEMBL727205

SCHEMBL727205

Nc1nc2c(c3c1ncn3CCCCNS(=O)(=O)c1cccs1)CCCC2

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 5/20 0.40
HTR7 P34969 5/20 0.40
DRD2 P14416 4/20 0.40
HTR6 P50406 4/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
TSHR P16473 2/20 0.39
NPY5R Q15761 1/20 0.38
PKM P14618 2/20 0.37
ALDH1A1 P00352 1/20 0.37
CCR1 P32246 1/20 0.36
TP53 P04637 1/20 0.36
MAPK1 P28482 1/20 0.35
GAA P10253 1/20 0.35
POLB P06746 1/20 0.35
HTT P42858 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
SCHEMBL3814425 0.85 BCHE (0.44) HTR2AHTR7DRD2HTR6PKM
SCHEMBL14516490 0.82 TLR7 (0.41) ALDH1A1
SCHEMBL14516480 0.82 SIGMAR1 (0.40) HTR7HTR6ALDH1A1POLB
SCHEMBL14516479 0.82 BCHE (0.40) HTR7DRD2HTR6ALDH1A1CCR1
SCHEMBL14516484 0.82 BCHE (0.49) HTR2AHTR7PKMALDH1A1HTT
SCHEMBL14516487 0.82 ALDH1A1 (0.38) ALDH1A1POLB
SCHEMBL6779047 0.82 CYP2C9 (0.43) HTR2AHTR7DRD2HTR6CYP2D6
SCHEMBL14516489 0.82 HTR7 (0.47) HTR2AHTR7DRD2HTR6CYP2C9
SCHEMBL727248 0.81 HTR7 (0.52) HTR2AHTR7HTR6TSHRALDH1A1
SCHEMBL14516483 0.80 LMNA (0.45) ALDH1A1MAPK1GAAPOLBHTT

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 HTR2A 3671/4885HTR7 4594/4885DRD2 4775/4885

“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.