SCHEMBL558025

SCHEMBL558025

[c]1nccc(Oc2ccccc2)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 4/20 0.42
TSHR P16473 1/20 0.42
BCAT2 O15382 1/20 0.40
HAO1 Q9UJM8 1/20 0.40
HTT P42858 2/20 0.39
ALDH1A1 P00352 1/20 0.39
LOXL2 Q9Y4K0 2/20 0.39
LOX P28300 1/20 0.38
CYP1A2 P05177 2/20 0.37
CYP2C9 P11712 2/20 0.37
CYP2C19 P33261 2/20 0.37
MAPK1 P28482 2/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
KMT2A Q03164 3/20 0.35
MAPT P10636 2/20 0.35
MEN1 O00255 2/20 0.35
NISCH Q9Y2I1 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
SCHEMBL11106612 0.81 HAO1 (0.43) LTA4HTSHRHAO1HTTALDH1A1
SCHEMBL7760415 0.74 MEN1 (0.45) HTTALDH1A1MAPK1KMT2AMEN1
SCHEMBL6771165 0.72 LTA4H (0.41) LTA4HTSHRHTTCYP1A2CYP2C19
SCHEMBL1451793 0.69 LTA4H (0.44) LTA4HTSHRBCAT2HAO1HTT
SCHEMBL3379912 0.69 CYP1A2 (0.51) LTA4HTSHRBCAT2HAO1HTT
SCHEMBL11595065 0.67 LTA4H (0.41) LTA4HTSHRHTTALDH1A1CYP1A2
SCHEMBL2521152 0.66 LTA4H (0.58) LTA4HTSHRBCAT2HAO1HTT
SCHEMBL4276104 0.66 BCAT2 (0.75) LTA4HTSHRBCAT2HAO1HTT
SCHEMBL20240785 0.66 LTA4H (0.57) LTA4HTSHRHAO1HTTALDH1A1
SCHEMBL9481848 0.66 LTA4H (0.50) LTA4HTSHRBCAT2HAO1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9321756-B2 Azole compounds as PIM inhibitors AMGEN INC. (US) 2016-04-26 US claimed
EP-2271650-B1 Quinuclidine compounds as alpha-7 nicotinic acetylcholine receptor ligands BRISTOL MYERS SQUIBB CO (US) 2015-09-16 EP claimed
US-20140187553-A1 Azole Compounds as PIM Inhibitors AMGEM INC. (US) 2014-07-03 US claimed
EP-2688886-A1 AZOLE COMPOUNDS AS PIM INHIBITORS Amgen Inc. (US) 2014-01-29 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
WO-2012129338-A1 AZOLE COMPOUNDS AS PIM INHIBITORS AMGEN INC. (US) 2012-09-27 WO 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-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
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

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-20100099684-A1 Quinuclidine Compounds as Alpha-7 Nicotinic Acetylcholine Receptor Ligands CHRNA7, CHRNA5, CHRNA6 LTA4H 1795/4885TSHR 372/4885BCAT2 3020/4885
US-20110263605-A1 Azabicyclo[2.2.1]Heptane Compounds as Alpha-7 Nicotinic Acetylcholine Receptor Ligands CHRNA7, CHRNA2, CHRNA5 LTA4H 1634/4885TSHR 329/4885BCAT2 3228/4885
US-20090270405-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS CHRNA7, CHRNA5, CHRNA6 LTA4H 1795/4885TSHR 372/4885BCAT2 3020/4885
US-20110269787-A1 Azabicyclic Compounds as Alpha-7 Nicotinic Acetylcholine Receptor Ligands CHRNA7, CHRNA6, CHRNA5 LTA4H 2038/4885TSHR 263/4885BCAT2 3207/4885
US-20140187553-A1 Azole Compounds as PIM Inhibitors PIM1, PIM3, PIM2 LTA4H 4545/4885TSHR 4495/4885BCAT2 328/4885

“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.