SCHEMBL1721458

SCHEMBL1721458

Nc1cc2ccccc2nc1S

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.52
HPGD P15428 4/20 0.52
MAPT P10636 4/20 0.52
GLA P06280 2/20 0.52
ACHE P22303 1/20 0.52
GAA P10253 5/20 0.52
KDM4E B2RXH2 5/20 0.52
KMT2A Q03164 4/20 0.52
NPC1 O15118 4/20 0.52
RAB9A P51151 3/20 0.52
POLB P06746 2/20 0.52
LMNA P02545 1/20 0.52
PTBP1 P26599 1/20 0.52
RCE1 Q9Y256 1/20 0.52
HTR3A P46098 1/20 0.48
MEN1 O00255 2/20 0.46
USP2 O75604 1/20 0.46
CACNA1B Q00975 1/20 0.46
APBA1 Q02410 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46

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
SCHEMBL359102 0.77 TLR8 (0.57) ALDH1A1HPGDMAPTGLAACHE
SCHEMBL29454362 0.77 TLR8 (0.57) ALDH1A1HPGDMAPTGLAACHE
SCHEMBL27880744 0.77 ALDH1A1 (0.56) ALDH1A1HPGDMAPTGLAACHE
Hydrochloric Acid SCHEMBL27365120 0.76 TLR8 (0.55) ALDH1A1HPGDMAPTGLAACHE
Acridine SCHEMBL10827474 0.75 ALDH1A1 (0.75) ALDH1A1HPGDMAPTGLAACHE
SCHEMBL2200581 0.74 TLR8 (0.53) ALDH1A1HPGDMAPTGLAACHE
SCHEMBL846680 0.74 KMT2A (0.55) ALDH1A1HPGDMAPTGLAACHE
SCHEMBL1133368 0.74 ALDH1A1 (0.52) ALDH1A1HPGDMAPTGLAACHE
SCHEMBL8788171 0.74 ALDH1A1 (0.52) ALDH1A1HPGDMAPTGLAACHE
SCHEMBL358560 0.74 TDP1 (0.59) ALDH1A1HPGDMAPTGLAACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2406228-B1 Substituted 3-amino-2-mercaptochinolins as KCNQ2/3 modulators GRUENENTHAL GMBH (DE) 2013-09-18 EP claimed
US-8207342-B2 Substituted 3-amino-2-mercaptoquinolines as KCNQ2/3 modulators GRUENENTHAL GMBH (DE) 2012-06-26 US claimed
EP-2406228-A1 SUBSTITUTED 3-AMINO-2-MERCAPTOQUINOLINES AS KCNQ2/3 MODULATORS Grünenthal GmbH (DE) 2012-01-18 EP claimed
WO-2010102779-A1 SUBSTITUTED 3-AMINO-2-MERCAPTOQUINOLINES AS KCNQ2/3 MODULATORS Grünenthal GmbH (DE) 2010-09-16 WO claimed
US-20100234421-A1 SUBSTITUTED 3-AMINO-2-MERCAPTOQUINOLINES AS KCNQ2/3 MODULATORS GRUNENTHAL GMBH (DE) 2010-09-16 US claimed
EP-1909142-B1 PHOTOSENSITIVE RESIN COMPOSITION AND ADHESION ENHANCER TORAY INDUSTRIES (JP) 2015-06-24 EP disclosed
EP-2406228-B1 Substituted 3-amino-2-mercaptochinolins as KCNQ2/3 modulators GRUENENTHAL GMBH (DE) 2013-09-18 EP disclosed
EP-2406228-B1 Substituted 3-amino-2-mercaptochinolins as KCNQ2/3 modulators GRUENENTHAL GMBH (DE) 2013-09-18 EP disclosed
US-8207342-B2 Substituted 3-amino-2-mercaptoquinolines as KCNQ2/3 modulators GRUENENTHAL GMBH (DE) 2012-06-26 US disclosed
US-8207342-B2 Substituted 3-amino-2-mercaptoquinolines as KCNQ2/3 modulators GRUENENTHAL GMBH (DE) 2012-06-26 US disclosed
US-8207342-B2 Substituted 3-amino-2-mercaptoquinolines as KCNQ2/3 modulators GRUENENTHAL GMBH (DE) 2012-06-26 US disclosed
CN-102341374-A SUBSTITUTED 3-AMINO-2-MERCAPTOQUINOLINES AS KCNQ2/3 MODULATORS GRUENENTHAL GMBH 2012-02-01 CN disclosed
US-20030065006-A1 Oxazolo, thiazolo and selenazolo [4,5-c]-quinolin-4-amines and analogs thereof 3M INNOVATIVE PROPERTIES COMPANY 2003-04-03 US disclosed
US-20030045545-A1 Oxazolo, thiazolo and selenazolo [4,5-c]-quinolin-4-amines and analogs thereof 3M INNOVATIVE PROPERTIES COMPANY 2003-03-06 US disclosed
US-6440992-B1 ARE IMMUNOMODULATORS AND INDUCE CYTOKINE BIOSYNTHESIS, INCLUDING INTERFERON AND/OR TUMOR BIOSYNTHESIS, NECROSIS FACTOR, AND INHIBIT T-HELPER-TYPE 2 IMMUNE RESPONSE; USEFUL FOR THERAPY OF VIRAL AND NEOPLASTIC DISEASES 3M INNOVATIVE PROPERTIES COMPANY 2002-08-27 US disclosed
US-20020072528-A1 Oxazolo, thiazolo and selenazolo [4,5-c]-quinolin-4-amines and analogs thereof 3M INNOVATIVE PROPERTIES COMPANY 2002-06-13 US disclosed
US-6323200-B1 THE COMPOUNDS ARE IMMUNOMODULATORS AND INDUCE CYTOKINE BIOSYNTHESIS, INCLUDING INTERFERON AND/OR TUMOR BIOSYNTHESIS, NECROSIS FACTOR, AND INHIBIT THE T-HELPER-TYPE 2 IMMUNE RESPONSE. 3M INNOVATIVE PROPERTIES COMPANY 2001-11-27 US disclosed
EP-1100802-A1 OXAZOLO, THIAZOLO AND SELENAZOLO [4,5-c]-QUINOLIN-4-AMINES AND ANALOGS THEREOF 3M Innovative Properties Company (US) 2001-05-23 EP disclosed
US-6110929-A IMMUNOMODULATORS WHICH INDUCE CYTOKINE BIOSYNTHESIS, INCLUDING INTERFERON AND/OR TUMOR BIOSYNTHESIS, NECROSIS FACTOR AND INHIBIT T-HELPER-TYPE 2 IMMUNE RESPONSE; FOR TREATMENT OF VIRAL AND NEOPLASTIC DISEASES 3M INNOVATIVE PROPERTIES COMPANY (US) 2000-08-29 US disclosed
WO-2000006577-A1 OXAZOLO, THIAZOLO AND SELENAZOLO [4,5-c]-QUINOLIN-4-AMINES AND ANALOGS THEREOF 3M INNOVATIVE PROPERTIES COMPANY (US) 2000-02-10 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-20020072528-A1 Oxazolo, thiazolo and selenazolo [4,5-c]-quinolin-4-amines and analogs thereof IFNG, THPO, IL2 ALDH1A1 2933/4885HPGD 496/4885MAPT 3980/4885
US-20030065006-A1 Oxazolo, thiazolo and selenazolo [4,5-c]-quinolin-4-amines and analogs thereof IFNG, THPO, IL2 ALDH1A1 2933/4885HPGD 496/4885MAPT 3980/4885
US-20100234421-A1 SUBSTITUTED 3-AMINO-2-MERCAPTOQUINOLINES AS KCNQ2/3 MODULATORS KCNQ1, KCNQ2, KCNQ3 ALDH1A1 2790/4885HPGD 3043/4885MAPT 4236/4885
US-20030045545-A1 Oxazolo, thiazolo and selenazolo [4,5-c]-quinolin-4-amines and analogs thereof IFNG, THPO, IL2 ALDH1A1 2933/4885HPGD 496/4885MAPT 3980/4885

“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.