SCHEMBL558407

SCHEMBL558407

Clc1[c]nc2ccccc2n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.50
MAPT P10636 5/20 0.46
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
KDM4E B2RXH2 3/20 0.39
PKM P14618 1/20 0.39
ALDH1A1 P00352 3/20 0.39
GAA P10253 2/20 0.39
HPGD P15428 2/20 0.39
HSD17B10 Q99714 1/20 0.39
L3MBTL1 Q9Y468 3/20 0.38
LMNA P02545 1/20 0.38
NQO2 P16083 2/20 0.37
NPC1 O15118 2/20 0.34
MEN1 O00255 1/20 0.34
USP2 O75604 1/20 0.34
POLB P06746 1/20 0.34
CACNA1B Q00975 1/20 0.34
APBA1 Q02410 1/20 0.34
KMT2A Q03164 1/20 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
SCHEMBL2274904 0.74 PSMB8 (0.38) TDP1MAPTPKMALDH1A1GAA
SCHEMBL9480318 0.73 MAPT (0.48) TDP1MAPTKDM4EALDH1A1GAA
SCHEMBL9481868 0.71 MAPT (0.46) TDP1MAPTKDM4EALDH1A1GAA
SCHEMBL9479792 0.71 MAPT (0.46) TDP1MAPTKDM4EALDH1A1GAA
SCHEMBL315192 0.71 MAPT (0.46) TDP1MAPTKDM4EALDH1A1GAA
SCHEMBL410281 0.71 MAPT (0.46) TDP1MAPTKDM4EALDH1A1GAA
SCHEMBL11060746 0.71 TDP1 (0.40) TDP1MAPTMAOAMAOBKDM4E
SCHEMBL3462382 0.71 MAPT (0.40) TDP1MAPTMAOAMAOBKDM4E
SCHEMBL584784 0.68 ALDH1A1 (0.46) TDP1MAPTMAOAMAOBKDM4E
SCHEMBL578186 0.68 MAPT (0.42) TDP1MAPTKDM4EPKMALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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-2493894-A1 AZABICYCLIC COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS Bristol-Myers Squibb Company (US) 2012-09-05 EP claimed
EP-2493893-A1 AZABICYCLO[2.2.1]HEPTANE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS Bristol-Myers Squibb Company (US) 2012-09-05 EP claimed
US-20110269787-A1 Azabicyclic Compounds as Alpha-7 Nicotinic Acetylcholine Receptor Ligands BRISTOL-MYERS SQUIBB COMPANY 2011-11-03 US claimed
US-20110263605-A1 Azabicyclo[2.2.1]Heptane Compounds as Alpha-7 Nicotinic Acetylcholine Receptor Ligands BRISTOL-MYERS SQUIBB COMPANY 2011-10-27 US claimed
WO-2011056573-A1 AZABICYCLIC COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS BRISTOL-MYERS SQUIBB COMPANY (US) 2011-05-12 WO claimed
EP-2271650-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS Bristol-Myers Squibb Company (US) 2011-01-12 EP claimed
US-7863291-B2 Quinuclidine compounds as alpha-7 nicotinic acetylcholine receptor ligands BRISTOL-MYERS SQUIBB COMPANY (US) 2011-01-04 US claimed
US-20100099684-A1 Quinuclidine Compounds as Alpha-7 Nicotinic Acetylcholine Receptor Ligands BRISTOL-MYERS SQUIBB COMPANY 2010-04-22 US claimed
US-20090270405-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS BRISTOL-MYERS SQUIBB COMPANY 2009-10-29 US claimed
WO-2009131926-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS BRISTOL-MYERS SQUIBB COMPANY (US) 2009-10-29 WO claimed
EP-0154442-B1 A COLOUR MEMBER AND METHOD OF MANUFACTURING THE SAME SEIKO INSTRUMENTS INC. (JP) 1992-09-09 EP claimed
US-4847139-A PRETREATMENT OF POLYMERIC BASE WITH NOBLE METAL ACTIVATORS, DECLADDING METAL FOIL, ELECTROLESS METALLIZATION BAYER AKTIENGESELLSCHAFT (DE) 1989-07-11 US claimed
US-4781444-A Color member having electrodeposited color layer composed of polymer and coloring matter bonded to polymer and method for manufacturing same SEIKO INSTRUMENTS & ELECTRONICS LTD. (JP) 1988-11-01 US claimed
EP-0273300-A2 Process for the one-bath single-stage dyeing of mixtures of carrier-free dyeable polyester fibres and cellulose fibres HOECHST AKTIENGESELLSCHAFT (DE) 1988-07-06 EP claimed
EP-0154442-A2 A colour member and method of manufacturing the same SEIKO INSTRUMENTS INC. (JP) 1985-09-11 EP 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 (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-20100099684-A1 Quinuclidine Compounds as Alpha-7 Nicotinic Acetylcholine Receptor Ligands CHRNA7, CHRNA5, CHRNA6 TDP1 689/4885MAPT 268/4885MAOA 208/4885
US-20110263605-A1 Azabicyclo[2.2.1]Heptane Compounds as Alpha-7 Nicotinic Acetylcholine Receptor Ligands CHRNA7, CHRNA2, CHRNA5 TDP1 678/4885MAPT 290/4885MAOA 208/4885
US-20090270405-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS CHRNA7, CHRNA5, CHRNA6 TDP1 689/4885MAPT 268/4885MAOA 208/4885
US-20110269787-A1 Azabicyclic Compounds as Alpha-7 Nicotinic Acetylcholine Receptor Ligands CHRNA7, CHRNA6, CHRNA5 TDP1 430/4885MAPT 392/4885MAOA 162/4885

“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.