SCHEMBL3817534

SCHEMBL3817534

NCCCCn1cnc2c(N)nc3c(c21)CCCC3

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACHE P22303 7/20 0.34
NPC1 O15118 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
THRB P10828 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ADORA2A P29274 2/20 0.32
MEN1 O00255 1/20 0.32
MAPK1 P28482 1/20 0.32
KMT2A Q03164 1/20 0.32
BPTF Q12830 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
SCHEMBL3176199 0.89 TK1 (0.43) ACHENPC1ALDH1A1MAPTTHRB
SCHEMBL8114300 0.88 CSNK2A2 (0.43) ACHENPC1ALDH1A1MAPTRAB9A
SCHEMBL8121668 0.87 ADORA2A (0.46) NPC1ALDH1A1MAPTTHRBRAB9A
SCHEMBL8126995 0.87 ADORA2A (0.46) ACHENPC1ALDH1A1MAPTRAB9A
SCHEMBL7551424 0.87 CHRNE (0.33) ACHENPC1ALDH1A1MAPTTHRB
SCHEMBL3178293 0.86 ALDH1A1 (0.33) ACHENPC1ALDH1A1MAPTTHRB
SCHEMBL6765920 0.86 ACHE (0.33) ACHENPC1ALDH1A1MAPTTHRB
SCHEMBL14516490 0.81 TLR7 (0.41) ACHENPC1ALDH1A1MAPTTHRB
SCHEMBL4917188 0.81 NPC1 (0.32) NPC1ALDH1A1MAPTTHRBRAB9A
Dimethylformamide SCHEMBL9048332 0.79 CSNK2A2 (0.36) NPC1ALDH1A1MAPTTHRBRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1642580-B1 Sulfonamide substituted imidazoquinolines COLEY PHARM GROUP INC (US) 2009-08-19 EP disclosed
US-7199131-B2 Sulfonamide and sulfamide substituted imidazoquinolines 3M INNOVATIVE PROPERTIES COMPANY (US) 2007-04-03 US disclosed
EP-1198233-B1 SULFONAMIDE AND SULFAMIDE SUBSTITUTED IMIDAZOQUINOLINES 3M INNOVATIVE PROPERTIES CO (US) 2006-08-16 EP disclosed
US-20060106052-A1 METHOD OF USING SULFONAMIDE SUBSTITUTED IMIDAZOQUINOLINES 3M INNOVATIVE PROPERTIES COMPANY 2006-05-18 US disclosed
US-7030131-B2 Sulfonamide substituted imidazoquinolines 3M INNOVATIVE PROPERTIES COMPANY 2006-04-18 US disclosed
EP-1642580-A1 Sulfonamide substituted imidazoquinolines 3M Innovative Properties Company (US) 2006-04-05 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
US-6825350-B2 ADMINISTERING DOSAGE OF IMMUNOLOGY RESPONSE MODERATOR 3M INNOVATIVE PROPERTIES COMPANY 2004-11-30 US disclosed
US-20040204438-A1 Sulfonamide substituted imidazoquinolines 3M INNOVATIVE PROPERTIES COMPANY 2004-10-14 US disclosed
US-6800624-B2 INDUCE BIOSYNTHESIS OF CYTOKINES; IMMUNE RESPONSE MODIFIERS; TREATMENT OF VIRAL AND NEOPLASTIC DISEASES 3M INNOVATIVE PROPERTIES COMPANY 2004-10-05 US 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-20040029877-A1 Sulfonamide and sulfamide substituted imidazoquinolines 3M INNOVATIVE PROPERTIES COMPANY 2004-02-12 US disclosed
US-6677349-B1 INDUCE CYTOKINE BIOSYNTHESIS; ANTICARCINOGENIC AGENTS, VIRICIDES 3M INNOVATIVE PROPERTIES COMPANY 2004-01-13 US disclosed
EP-1198233-A4 SULFONAMIDE AND SULFAMIDE SUBSTITUTED IMIDAZOQUINOLINES 3M INNOVATIVE PROPERTIES CO (US) 2002-07-24 EP disclosed
EP-1198233-A1 SULFONAMIDE AND SULFAMIDE SUBSTITUTED IMIDAZOQUINOLINES 3M Innovative Properties Company (US) 2002-04-24 EP disclosed
US-6331539-B1 INDUCE BIOSYNTHESIS OF INTERFERON ALPHA IN ANIMALS 3M INNOVATIVE PROPERTIES COMPANY 2001-12-18 US disclosed
WO-2000076519-A1 SULFONAMIDE AND SULFAMIDE SUBSTITUTED IMIDAZOQUINOLINES 3M INNOVATIVE PROPERTIES COMPANY (US) 2000-12-21 WO 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 (6 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 ACHE 4828/4885NPC1 4637/4885ALDH1A1 1377/4885
US-20060106052-A1 METHOD OF USING SULFONAMIDE SUBSTITUTED IMIDAZOQUINOLINES IFNG, MYD88, IL2 ACHE 4728/4885NPC1 4067/4885ALDH1A1 1517/4885
US-20050197358-A1 Sulfonamide and sulfamide substituted imidazoquinolines IFNG, IRF3, EIF2AK2 ACHE 4828/4885NPC1 4637/4885ALDH1A1 1377/4885
US-20040204438-A1 Sulfonamide substituted imidazoquinolines IRF3, IFNG, EIF2AK2 ACHE 4830/4885NPC1 3990/4885ALDH1A1 1591/4885
US-20040132762-A1 Sulfonamide and sulfamide substituted imidazoquinolines IFNG, IRF3, EIF2AK2 ACHE 4828/4885NPC1 4637/4885ALDH1A1 1377/4885
US-20040106638-A1 Sulfonamide and sulfamide substituted imidazoquinolines IFNG, IRF3, EIF2AK2 ACHE 4828/4885NPC1 4637/4885ALDH1A1 1377/4885

“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.