SCHEMBL3970481

SCHEMBL3970481

CCCCc1nc2c[n+]([O-])c3ccccc3c2n1CCCNS(=O)(=O)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
TSHR P16473 1/20 0.41
GAA P10253 1/20 0.41
HTT P42858 1/20 0.41
TLR7 Q9NYK1 4/20 0.40
LMNA P02545 2/20 0.40
TP53 P04637 1/20 0.40
TLR8 Q9NR97 1/20 0.40
PDE4A P27815 1/20 0.40
PDE4B Q07343 1/20 0.40
PDE4C Q08493 1/20 0.40
PDE4D Q08499 1/20 0.40
PKM P14618 2/20 0.40
EPHX2 P34913 1/20 0.40
PPARG P37231 1/20 0.38
HDAC1 Q13547 1/20 0.38
KDM4E B2RXH2 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NOD2 Q9HC29 1/20 0.37
NOD1 Q9Y239 1/20 0.37

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
SCHEMBL3971953 0.90 TLR7 (0.47) ALDH1A1GAAHTTTLR7LMNA
SCHEMBL1951281 0.86 GAA (0.47) GAAHTTTLR7LMNATP53
SCHEMBL1951282 0.86 GAA (0.47) GAAHTTTLR7LMNATP53
SCHEMBL3969352 0.83 TLR7 (0.46) ALDH1A1TSHRGAAHTTTLR7
SCHEMBL5362469 0.82 EPHX1 (0.46) ALDH1A1GAAHTTTLR7LMNA
SCHEMBL4165388 0.80 CNR1 (0.43) ALDH1A1GAAHTTTLR7LMNA
SCHEMBL5364616 0.79 TLR7 (0.48) GAAHTTTLR7LMNATP53
SCHEMBL4152852 0.79 PDE4A (0.41) ALDH1A1GAAHTTTLR7LMNA
SCHEMBL3973006 0.79 TLR7 (0.67) TLR7TLR8
SCHEMBL5617629 0.78 TLR7 (0.42) TLR7LMNATP53TLR8PDE4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1638566-A4 SULFONAMIDE SUBSTITUTED IMIDAZOQUINOLINES 3M INNOVATIVE PROPERTIES CO (US) 2009-03-25 EP disclosed
US-7199131-B2 Sulfonamide and sulfamide substituted imidazoquinolines 3M INNOVATIVE PROPERTIES COMPANY (US) 2007-04-03 US disclosed
EP-1638566-A2 SULFONAMIDE SUBSTITUTED IMIDAZOQUINOLINES 3M Innovative Properties Company (US) 2006-03-29 EP disclosed
US-20050197358-A1 Sulfonamide and sulfamide substituted imidazoquinolines 3M INNOVATIVE PROPERTIES COMPANY 2005-09-08 US disclosed
US-6924293-B2 Sulfonamide and sulfamide substituted imidazoquinolines 3M INNOVATIVE PROPERTIES COMPANY (US) 2005-08-02 US disclosed
US-6888000-B2 Sulfonamide and sulfamide substituted imidazoquinolines 3M INNOVATIVE PROPERTIES COMPANY (US) 2005-05-03 US disclosed
WO-2005003064-A2 SULFONAMIDE SUBSTITUTED IMIDAZOQUINOLINES 3M INNOVATIVE PROPERTIES COMPANY (US) 2005-01-13 WO disclosed
WO-2005003065-A2 SULFONAMIDE SUBSTITUTED IMIDAZOQUINOLINES 3M INNOVATIVE PROPERTIES COMPANY (US) 2005-01-13 WO disclosed
US-20040132762-A1 Sulfonamide and sulfamide substituted imidazoquinolines 3M INNOVATIVE PROPERTIES COMPANY 2004-07-08 US disclosed
US-20040106638-A1 Sulfonamide and sulfamide substituted imidazoquinolines 3M INNOVATIVE PROPERTIES COMPANY 2004-06-03 US disclosed
US-6677349-B1 INDUCE CYTOKINE BIOSYNTHESIS; ANTICARCINOGENIC AGENTS, VIRICIDES 3M INNOVATIVE PROPERTIES COMPANY 2004-01-13 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 (3 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-20050197358-A1 Sulfonamide and sulfamide substituted imidazoquinolines IFNG, IRF3, EIF2AK2 ALDH1A1 1377/4885TSHR 2504/4885GAA 2938/4885
US-20040132762-A1 Sulfonamide and sulfamide substituted imidazoquinolines IFNG, IRF3, EIF2AK2 ALDH1A1 1377/4885TSHR 2504/4885GAA 2938/4885
US-20040106638-A1 Sulfonamide and sulfamide substituted imidazoquinolines IFNG, IRF3, EIF2AK2 ALDH1A1 1377/4885TSHR 2504/4885GAA 2938/4885

“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.