SCHEMBL842584

SCHEMBL842584

O=[N+]([O-])c1c(S(=O)(=O)O)nc2ccccc2c1S(=O)(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.40
S100A4 P26447 1/20 0.39
KMT2A Q03164 7/20 0.38
MEN1 O00255 6/20 0.38
MAPT P10636 6/20 0.38
KDM4E B2RXH2 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
MAPK1 P28482 2/20 0.38
HTT P42858 2/20 0.38
GLA P06280 2/20 0.38
RAB9A P51151 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
RXFP1 Q9HBX9 1/20 0.36
TSHR P16473 1/20 0.36
CYP2D6 P10635 1/20 0.35
ALDH1A1 P00352 4/20 0.35
GUSB P08236 2/20 0.35
C1R P00736 2/20 0.35
POLB P06746 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
SCHEMBL842583 1.00 CYP3A4 (0.40) CYP3A4S100A4KMT2AMEN1MAPT
SCHEMBL8569382 0.84 MAPT (0.39) CYP3A4S100A4KMT2AMEN1MAPT
SCHEMBL7834223 0.84 KDM4E (0.43) CYP3A4S100A4KMT2AMEN1MAPT
SCHEMBL7834227 0.84 KDM4E (0.43) CYP3A4S100A4KMT2AMEN1MAPT
SCHEMBL8559187 0.81 KDM4E (0.40) CYP3A4S100A4KMT2AMEN1MAPT
SCHEMBL8566049 0.75 KDM4E (0.40) S100A4KMT2AMEN1MAPTKDM4E
SCHEMBL28041851 0.74 S100A4 (0.50) CYP3A4S100A4KMT2AMEN1TDP1
SCHEMBL8560319 0.72 POLB (0.46) KMT2AMEN1MAPTSMN1; SMN2MAPK1
SCHEMBL6843431 0.72 CASP6 (0.54) CYP3A4S100A4KMT2AMEN1MAPT
SCHEMBL20291524 0.71 CYP3A4 (0.61) CYP3A4S100A4KMT2AMEN1MAPT

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 46 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0681570-A1 PROCESS FOR PREPARING QUINOLINE AMINES MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1995-11-15 EP claimed
US-5395937-A Process for preparing quinoline amines MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1995-03-07 US claimed
WO-1994017043-A1 PROCESS FOR PREPARING QUINOLINE AMINES MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1994-08-04 WO claimed
US-20130096103-A1 IMIDAZOQUINOLINE COMPOUNDS NOVARTIS VACCINES & DIAGNOSTICS, INC. (US) 2013-04-18 US disclosed
US-8143270-B2 2-amino 1H-in-imidazo ring systems and methods 3M INNOVATIVE PROPERTIES COMPANY (US) 2012-03-27 US disclosed
US-20110217323-A1 IMIDAZOQUINOLINE COMPOUNDS NOVARTIS VACCINES & DIAGNOSTICS, INC. (US) 2011-09-08 US disclosed
EP-1784180-A4 2-AMINO 1H IMIDAZO RING SYSTEMS AND METHODS 3M INNOVATIVE PROPERTIES CO (US) 2009-07-22 EP disclosed
US-20090023720-A1 2-Amino 1H-Imidazo Ring Systems and Methods 3M INNOVATIVE PROPERTIES COMPANY 2009-01-22 US disclosed
US-20080213308-A1 Imidazoquinoline Compounds NOVARTIS VACCINES AND DIAGNOSTICS, INC. 2008-09-04 US disclosed
EP-1797091-A2 IMIDAZOQUINOLINE COMPOUNDS Novartis Vaccines and Diagnostics, Inc. (US) 2007-06-20 EP disclosed
EP-1784180-A2 2-AMINO 1H IMIDAZO RING SYSTEMS AND METHODS 3M INNOVATIVE PROPERTIES COMPANY (US) 2007-05-16 EP disclosed
EP-0802913-A1 IMIDAZO 4,5-c]QUINOLINE AMINES MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1997-10-29 EP disclosed
WO-1996021663-A1 IMIDAZO[4,5-c]QUINOLINE AMINES MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1996-07-18 WO disclosed
US-5482936-A INDUCE INTERFERON BIOSYNTHESIS IN AN ANIMAL MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1996-01-09 US disclosed
EP-0681570-A1 PROCESS FOR PREPARING QUINOLINE AMINES MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1995-11-15 EP disclosed
EP-0681570-A1 PROCESS FOR PREPARING QUINOLINE AMINES MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1995-11-15 EP disclosed
US-5395937-A Process for preparing quinoline amines MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1995-03-07 US disclosed
US-5395937-A Process for preparing quinoline amines MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1995-03-07 US disclosed
WO-1994017043-A1 PROCESS FOR PREPARING QUINOLINE AMINES MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1994-08-04 WO disclosed
WO-1994017043-A1 PROCESS FOR PREPARING QUINOLINE AMINES MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1994-08-04 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 (4 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-20130096103-A1 IMIDAZOQUINOLINE COMPOUNDS IFNG, IRF3, MYD88 CYP3A4 739/4885S100A4 581/4885KMT2A 732/4885
US-20110217323-A1 IMIDAZOQUINOLINE COMPOUNDS IFNG, IRF3, MYD88 CYP3A4 739/4885S100A4 581/4885KMT2A 732/4885
US-20090023720-A1 2-Amino 1H-Imidazo Ring Systems and Methods IL2, IL2RA, IL4I1 CYP3A4 901/4885S100A4 2044/4885KMT2A 1860/4885
US-20080213308-A1 Imidazoquinoline Compounds IFNG, IRF3, MYD88 CYP3A4 739/4885S100A4 581/4885KMT2A 732/4885

“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.