SCHEMBL558492

SCHEMBL558492

FC(F)(F)c1cccc2s[c]nc12

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.36
ALDH1A1 P00352 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
NR1H2 P55055 2/20 0.33
NR1H3 Q13133 2/20 0.33
ESR1 P03372 1/20 0.33
HSD11B1 P28845 3/20 0.33
AXL P30530 1/20 0.33
MPL P40238 3/20 0.32
GRM2 Q14416 1/20 0.32
P2RX7 Q99572 1/20 0.32
AKR1B1 P15121 1/20 0.32
SLC9A1 P19634 2/20 0.31
NCF1 P14598 1/20 0.31
MEN1 O00255 1/20 0.30
GAA P10253 1/20 0.30
MAPT P10636 1/20 0.30
KMT2A Q03164 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL5440477 0.85 CA2 (0.38) ALDH1A1
SCHEMBL5000412 0.84
SCHEMBL211528 0.75 ALDH1A1 (0.44) PARP1ALDH1A1L3MBTL1MEN1GAA
SCHEMBL558291 0.75 SMN1; SMN2 (0.44) PARP1ALDH1A1L3MBTL1MEN1GAA
SCHEMBL1696135 0.75 PSMD14 (0.36)
SCHEMBL10411212 0.74
SCHEMBL558055 0.74 F2RL3 (0.37) L3MBTL1HSD11B1MPLMAPT
SCHEMBL8013536 0.71 EGLN1 (0.32)
SCHEMBL558555 0.71 PSMB8 (0.44) PARP1ALDH1A1MEN1GAAMAPT
SCHEMBL6098342 0.71 KDM4E (0.39) PARP1ALDH1A1L3MBTL1MEN1GAA

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 118 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-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-2011056503-A1 AZABICYCLO[2.2.1] HEPTANE 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
CN-111182898-B Methods for treating huntington's disease PTC医疗公司 2024-04-16 CN disclosed
US-20240067646-A1 COMPOUNDS FOR TREATING SPINAL MUSCULAR ATROPHY HOFFMANN-LA ROCHE INC. 2024-02-29 US disclosed
US-20230310651-A1 METHODS FOR MODULATING RNA SPLICING PTC THERAPEUTICS, INC. (US) 2023-10-05 US disclosed
US-20090270405-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS BRISTOL-MYERS SQUIBB COMPANY 2009-10-29 US disclosed
WO-2009131926-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS BRISTOL-MYERS SQUIBB COMPANY (US) 2009-10-29 WO disclosed
WO-2009023193-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INCORPORATED (US) 2009-02-19 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-20100099684-A1 Quinuclidine Compounds as Alpha-7 Nicotinic Acetylcholine Receptor Ligands CHRNA7, CHRNA5, CHRNA6 PARP1 2409/4885ALDH1A1 1082/4885L3MBTL1 3179/4885
US-20240067646-A1 COMPOUNDS FOR TREATING SPINAL MUSCULAR ATROPHY SMN1; SMN2, CPT1B, GYS1 PARP1 3479/4885ALDH1A1 1088/4885L3MBTL1 1646/4885
US-20110263605-A1 Azabicyclo[2.2.1]Heptane Compounds as Alpha-7 Nicotinic Acetylcholine Receptor Ligands CHRNA7, CHRNA2, CHRNA5 PARP1 3051/4885ALDH1A1 531/4885L3MBTL1 4392/4885
US-20090270405-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS CHRNA7, CHRNA5, CHRNA6 PARP1 2409/4885ALDH1A1 1082/4885L3MBTL1 3179/4885
US-20110269787-A1 Azabicyclic Compounds as Alpha-7 Nicotinic Acetylcholine Receptor Ligands CHRNA7, CHRNA6, CHRNA5 PARP1 2302/4885ALDH1A1 1011/4885L3MBTL1 3320/4885
US-20230310651-A1 METHODS FOR MODULATING RNA SPLICING RBM17, SNRPE, RBM3 PARP1 3896/4885ALDH1A1 3799/4885L3MBTL1 182/4885

“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.