SCHEMBL3970868

SCHEMBL3970868

CCCc1nc2cnc3ccccc3c2n1CCCCNS(=O)(=O)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 3/20 0.48
ALDH1A1 P00352 4/20 0.41
LMNA P02545 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
PKM P14618 2/20 0.41
KDM4E B2RXH2 1/20 0.41
TP53 P04637 1/20 0.41
TLR8 Q9NR97 1/20 0.41
EPHX2 P34913 1/20 0.41
TSHR P16473 1/20 0.40
HTT P42858 2/20 0.40
HTR7 P34969 2/20 0.40
HTR6 P50406 1/20 0.40
MAPT P10636 1/20 0.40
GAA P10253 1/20 0.40
BCHE P06276 1/20 0.39
ACHE P22303 1/20 0.39
HMOX1 P09601 1/20 0.39
HDAC1 Q13547 1/20 0.39

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
SCHEMBL3968551 0.94 TLR7 (0.47) TLR7ALDH1A1LMNASMN1; SMN2PKM
SCHEMBL3969352 0.92 TLR7 (0.46) TLR7ALDH1A1LMNATP53TLR8
SCHEMBL3968369 0.89 TLR7 (0.58) TLR7LMNASMN1; SMN2TP53TLR8
SCHEMBL3970939 0.84 TLR7 (0.70) TLR7TLR8
SCHEMBL3969529 0.83 TLR7 (0.55) TLR7LMNASMN1; SMN2TP53TLR8
SCHEMBL3975797 0.81 TLR7 (0.53) TLR7LMNASMN1; SMN2TP53TLR8
SCHEMBL5618745 0.81 TLR7 (0.42) TLR7LMNASMN1; SMN2TP53TLR8
SCHEMBL1950119 0.81 GAA (0.47) TLR7LMNASMN1; SMN2TP53HTT
SCHEMBL3969176 0.81 TLR7 (0.68) TLR7ALDH1A1LMNASMN1; SMN2TP53
SCHEMBL5349914 0.80 TLR7 (0.47) TLR7LMNASMN1; SMN2TP53TLR8

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 TLR7 59/4885ALDH1A1 1377/4885LMNA 4783/4885
US-20040132762-A1 Sulfonamide and sulfamide substituted imidazoquinolines IFNG, IRF3, EIF2AK2 TLR7 59/4885ALDH1A1 1377/4885LMNA 4783/4885
US-20040106638-A1 Sulfonamide and sulfamide substituted imidazoquinolines IFNG, IRF3, EIF2AK2 TLR7 59/4885ALDH1A1 1377/4885LMNA 4783/4885

“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.