SCHEMBL558535

SCHEMBL558535

Fc1[c]nc2ccccc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
MAPT P10636 3/20 0.46
HPGD P15428 3/20 0.46
GLA P06280 2/20 0.46
ACHE P22303 1/20 0.46
NQO2 P16083 1/20 0.39
MBNL1 Q9NR56 1/20 0.37
CYP1A2 P05177 2/20 0.36
CA12 O43570 1/20 0.35
CA9 Q16790 1/20 0.35
KDM4E B2RXH2 3/20 0.35
STAT3 P40763 2/20 0.35
GAA P10253 2/20 0.35
HTR3A P46098 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
LMNA P02545 2/20 0.35
POLB P06746 2/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
KMT2A Q03164 2/20 0.34

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
SCHEMBL521935 0.74 NQO2 (0.46) ALDH1A1MAPTHPGDGLAACHE
SCHEMBL584784 0.74 ALDH1A1 (0.46) ALDH1A1MAPTHPGDGLAACHE
SCHEMBL7060124 0.74 ALDH1A1 (0.46) ALDH1A1MAPTHPGDGLAACHE
SCHEMBL641339 0.74 ALDH1A1 (0.47) ALDH1A1MAPTHPGDGLAACHE
SCHEMBL558480 0.74 ALDH1A1 (0.46) ALDH1A1MAPTHPGDGLAACHE
SCHEMBL269884 0.74 ALDH1A1 (0.46) ALDH1A1MAPTHPGDGLAACHE
SCHEMBL5250342 0.74 MAPT (0.41) ALDH1A1MAPTHPGDGLAACHE
SCHEMBL23012557 0.71 MAPT (0.39) ALDH1A1MAPTHPGDGLAACHE
SCHEMBL4723728 0.71 NCF1 (0.44) ALDH1A1MAPTHPGDGLAACHE
SCHEMBL628270 0.71 ALDH1A1 (0.43) ALDH1A1MAPTHPGDGLAACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240083898-A1 TRICYCLIC TRIAZOLO COMPOUNDS AS DGK INHIBITORS INCYTE CORPORATION 2024-03-14 US claimed
US-10829466-B2 Stilbene derivative and preparation method thereof BEIJING INSTITUTE OF TECHNOLOGY (CN) 2020-11-10 US claimed
US-20200148662-A1 NOVEL STILBENE DERIVATIVE AND PREPARATION METHOD THEREOF BEIJING INSTITUTE OF TECHNOLOGY (CN) 2020-05-14 US claimed
CN-110790760-A Fluorohydroxyquinolyl metal organic small molecular complex with aromatic group bridging naphthalimide and preparation method and application thereof 华南理工大学 2020-02-14 CN claimed
EP-2271650-B1 Quinuclidine compounds as alpha-7 nicotinic acetylcholine receptor ligands BRISTOL MYERS SQUIBB CO (US) 2015-09-16 EP claimed
EP-2493894-B1 AZABICYCLIC COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS BRISTOL MYERS SQUIBB CO (US) 2014-01-29 EP claimed
EP-2493893-B1 AZABICYCLO[2.2.1]HEPTANE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS BRISTOL MYERS SQUIBB CO (US) 2014-01-15 EP claimed
EP-1847545-B1 SUBSTITUTED ETHYNYL GOLD-NITROGENATED HETEROCYCLIC CARBENE COMPLEX AND ORGANIC ELECTROLUMINESCENT DEVICE USING SAME UBE INDUSTRIES (JP) 2013-03-06 EP claimed
US-8309577-B2 Quinuclidine compounds as α-7 nicotinic acetylcholine receptor ligands BRISTOL-MYERS SQUIBB COMPANY (US) 2012-11-13 US claimed
US-8278320-B2 Azabicyclo[2.2.1]heptane compounds as alpha-7 nicotinic acetylcholine receptor ligands BRISTOL-MYERS SQUIBB COMPANY (US) 2012-10-02 US claimed
EP-1847545-A1 SUBSTITUTED ETHYNYL GOLD-NITROGENATED HETEROCYCLIC CARBENE COMPLEX AND ORGANIC ELECTROLUMINESCENT DEVICE USING SAME Ube Industries, Ltd. (JP) 2007-10-24 EP claimed
JP-2007513989-A 2007-05-31 JP claimed
JP-2007512280-A 2007-05-17 JP claimed
US-7217711-B2 Piperazin-1-yl and 2-([1,4]diazepan-1-yl)-imidazo[4,5-d]-pyridazin-4-ones, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-05-15 US claimed
EP-1742949-A1 NOVEL-2-(PIPERAZIN-1-YL)-AND-2-([1,4]DIAZEPAN-1-YL)-IMIDAZO[4,5-D]PYRIDAZIN-4-ONE, PRODUCTION AND USE THEREOF AS MEDICAMENT FOR THE TREATMENT OF DIABETES MELLITUS Boehringer Ingelheim International GmbH (DE) 2007-01-17 EP claimed
EP-1689748-A1 NOVEL 8-(PIPERAZINE-1-YL)- AND 8-( 1,4|DIAZEPAN-1-YL)-XANTHINE, THE PRODUCTION AND USE THEREOF IN THE FROM OF A DRUG Boehringer Ingelheim International GmbH (DE) 2006-08-16 EP claimed
US-20050171093-A1 New piperazin-1-yl and 2-([1,4]diazepan-1-yl)-imidazo[4,5-d]-pyridazin-4-ones, the preparation thereof and their use as pharmaceutial compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-08-04 US claimed
WO-2005058901-A1 NOVEL 2-(PIPERAZIN-1-YL)- AND 2-([1,4]DIAZEPAN-1-YL)- IMIDAZO[4,5-D]PYRIDAZIN-4-ONE, PRODUCTION AND USE THEREOF AS MEDICAMENT FOR THE TREATMENT OF DIABETES MELLITUS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-06-30 WO claimed
US-20050130985-A1 8-(piperazin-1yl)- and 8-([1,4]diazepan-1yl)-xanthines, the preparation thereof and their use as pharmaceutical composition BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-06-16 US claimed
WO-2005051950-A1 NOVEL 8-(PIPERAZINE-1-YL)- AND 8-([1,4]DIAZEPAN-1-YL)-XANTHINE, THE PRODUCTION AND USE THEREOF IN THE FROM OF A DRUG BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-06-09 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 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-20050171093-A1 New piperazin-1-yl and 2-([1,4]diazepan-1-yl)-imidazo[4,5-d]-pyridazin-4-ones, the preparation thereof and their use as pharmaceutial compositions DPP4, DPP3, DPP7 ALDH1A1 285/4885MAPT 486/4885HPGD 2531/4885
US-20050130985-A1 8-(piperazin-1yl)- and 8-([1,4]diazepan-1yl)-xanthines, the preparation thereof and their use as pharmaceutical composition DPP8, DPP4, DPP7 ALDH1A1 247/4885MAPT 721/4885HPGD 1546/4885
US-20240083898-A1 TRICYCLIC TRIAZOLO COMPOUNDS AS DGK INHIBITORS DGKA, DGKI, DGKG ALDH1A1 4279/4885MAPT 3573/4885HPGD 1764/4885
US-10829466-B2 Stilbene derivative and preparation method thereof STS, F12, GLB1 ALDH1A1 449/4885MAPT 3955/4885HPGD 2632/4885
US-20200148662-A1 NOVEL STILBENE DERIVATIVE AND PREPARATION METHOD THEREOF STS, F12, STK38L ALDH1A1 415/4885MAPT 3976/4885HPGD 3123/4885

“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.