SCHEMBL6106397

SCHEMBL6106397

O=[N+]([O-])c1c(Cl)c2ccccc2n2nnnc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.51
MAPT P10636 6/20 0.51
NPSR1 Q6W5P4 4/20 0.51
RAB9A P51151 4/20 0.51
NPC1 O15118 4/20 0.51
SMN1; SMN2 Q16637 4/20 0.51
LMNA P02545 3/20 0.51
TLR9 Q9NR96 2/20 0.51
XBP1 P17861 1/20 0.51
PAX8 Q06710 1/20 0.51
HTT P42858 3/20 0.48
MITF O75030 1/20 0.48
AGTR1 P30556 1/20 0.48
HSPD1 P10809 1/20 0.47
HSPE1 P61604 1/20 0.47
KDM4E B2RXH2 7/20 0.38
KMT2A Q03164 6/20 0.38
MAPK1 P28482 1/20 0.38
HPGD P15428 2/20 0.37
TNKS O95271 2/20 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
SCHEMBL6097459 0.83 S100A4 (0.47) ALDH1A1MAPTNPSR1RAB9ANPC1
SCHEMBL6099876 0.83 LMNA (0.40) ALDH1A1MAPTNPSR1RAB9ANPC1
SCHEMBL1895900 0.83 MAPT (0.36) ALDH1A1MAPTNPSR1RAB9ANPC1
Water SCHEMBL6101423 0.82 S100A4 (0.46) ALDH1A1MAPTNPSR1RAB9ANPC1
SCHEMBL4302874 0.81 ALDH1A1 (0.39) ALDH1A1MAPTNPSR1RAB9ANPC1
SCHEMBL6100932 0.79 S100A4 (0.34) ALDH1A1MAPTNPSR1RAB9ANPC1
SCHEMBL6100934 0.79 S100A4 (0.34) ALDH1A1MAPTNPSR1RAB9ANPC1
SCHEMBL6100506 0.77 MAPT (0.47) ALDH1A1MAPTNPSR1RAB9ANPC1
SCHEMBL6099648 0.74 ALDH1A1 (0.45) ALDH1A1MAPTNPSR1LMNAHTT
SCHEMBL8637191 0.74 MAPT (0.36) ALDH1A1MAPTNPSR1RAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6989389-B2 Aryl ether substituted imidazoquinolines 3M INNOVATIVE PROPERTIES CO. (US) 2006-01-24 US disclosed
US-6953804-B2 Aryl ether substituted imidazoquinolines 3M INNOVATIVE PROPERTIES CO. (US) 2005-10-11 US disclosed
US-20040138248-A1 Aryl ether substituted imidazoquinolines 3M INNOVATIVE PROPERTIES COMPANY 2004-07-15 US disclosed
US-20040106640-A1 Aryl ether substituted imidazoquinolines COLEY PHARMACEUTICAL GROUP, INC. 2004-06-03 US disclosed
US-20040072858-A1 Heterocyclic ether substituted imidazoquinolines 3M INNOVATIVE PROPERTIES COMPANY 2004-04-15 US disclosed
US-6677348-B2 INDUCE CYTOKINE BIOSYNTHESIS; ANTICARCINOGENIC AGENTS, VIRICIDES 3M INNOVATIVE PROPERTIES COMPANY 2004-01-13 US disclosed
US-6670372-B2 Immunomodulators, for inducing cytokine biosynthesis in animals, and in the treatment of viral and neoplastic diseases; imidazo(4,5-c) quinoline-4-amine compounds that have an ether containing substituent at the 1-position 3M INNOVATIVE PROPERTIES COMPANY 2003-12-30 US disclosed
US-6664260-B2 Viricides; anticarcinogneic agents; induction cytokine biosynthesis 3M INNOVATIVE PROPERTIES COMPANY 2003-12-16 US disclosed
US-20030212092-A1 Aryl ether substituted imidazoquinolines COLEY PHARMACEUTICAL GROUP, INC. 2003-11-13 US disclosed
US-20030212091-A1 Aryl ether substituted imidazoquinolines 3M INNOVATIVE PROPERTIES COMPANY 2003-11-13 US disclosed
EP-1341789-A2 ARYL ETHER SUBSTITUTED IMIDAZOQUINOLINES 3M Innovative Properties Company (US) 2003-09-10 EP disclosed
EP-1339715-A2 HETEROCYCLIC ETHER SUBSTITUTED IMIDAZOQUINOLINES 3M Innovative Properties Company (US) 2003-09-03 EP disclosed
US-20030065005-A1 Heterocyclic ether substituted imidazoquinolines 3M INNOVATIVE PROPERTIES COMPANY 2003-04-03 US disclosed
WO-2002046193-A2 HETEROCYCLIC ETHER SUBSTITUTED IMIDAZOQUINOLINES 3M INNOVATIVE PROPERTIES COMPANY (US) 2002-06-13 WO disclosed
WO-2002046189-A2 ARYL ETHER SUBSTITUTED IMIDAZOQUINOLINES 3M INNOVATIVE PROPERTIES COMPANY (US) 2002-06-13 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-20030065005-A1 Heterocyclic ether substituted imidazoquinolines IFNG, IL2, IRF3 ALDH1A1 2486/4885MAPT 4130/4885NPSR1 4094/4885
US-20040138248-A1 Aryl ether substituted imidazoquinolines IRF3, IFNG, MYD88 ALDH1A1 1364/4885MAPT 3670/4885NPSR1 4329/4885
US-20040106640-A1 Aryl ether substituted imidazoquinolines IRF3, IFNG, MYD88 ALDH1A1 1364/4885MAPT 3670/4885NPSR1 4329/4885
US-20030212092-A1 Aryl ether substituted imidazoquinolines IRF3, IFNG, MYD88 ALDH1A1 1364/4885MAPT 3670/4885NPSR1 4329/4885
US-20030212091-A1 Aryl ether substituted imidazoquinolines IRF3, IFNG, MYD88 ALDH1A1 1364/4885MAPT 3670/4885NPSR1 4329/4885
US-20040072858-A1 Heterocyclic ether substituted imidazoquinolines IFNG, IL2, IRF3 ALDH1A1 2486/4885MAPT 4130/4885NPSR1 4094/4885

“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.