SCHEMBL558329

SCHEMBL558329

COc1ccc(Cc2nccs2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 3/20 0.56
ALDH1A1 P00352 5/20 0.51
LMNA P02545 4/20 0.51
HPGD P15428 1/20 0.51
SCN1A P35498 1/20 0.49
SCN2A Q99250 1/20 0.49
SCN3A Q9NY46 1/20 0.49
KDM4E B2RXH2 1/20 0.49
MPI P34949 1/20 0.49
APOBEC3G Q9HC16 1/20 0.49
FBP1 P09467 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
POLB P06746 2/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
CYP2D6 P10635 1/20 0.46
ATM Q13315 1/20 0.46
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
PKM P14618 2/20 0.45

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
SCHEMBL16699790 0.81 SCN1A (0.54) ALDH1A1LMNASCN1ASCN2ASCN3A
SCHEMBL27468396 0.77 NR1H3 (0.51) LTA4HALDH1A1LMNAHPGDKDM4E
SCHEMBL27855068 0.77 CYP2C19 (0.50) LTA4HALDH1A1LMNAKDM4EFBP1
SCHEMBL2973461 0.77 LTA4H (0.49) LTA4HALDH1A1HPGDFBP1MEN1
SCHEMBL6821892 0.77 LTA4H (0.49) LTA4HFBP1MEN1KMT2ANPC1
SCHEMBL2017562 0.76 LOXL2 (0.49) LTA4HALDH1A1LMNAMEN1KMT2A
SCHEMBL16706854 0.76 TRPM8 (0.51) ALDH1A1LMNASCN1ASCN2ASCN3A
SCHEMBL12419334 0.76 LTA4H (0.46) LTA4HALDH1A1KDM4EGAACYP2C19
SCHEMBL6163997 0.76 CYP17A1 (0.50) LTA4HALDH1A1HPGDSMN1; SMN2CYP2D6
SCHEMBL378027 0.76 PDPK1 (0.50) LTA4HALDH1A1KDM4ESMN1; SMN2

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 57 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-109265455-A A kind of preparation method of Dasatinib 新发药业有限公司 2019-01-25 CN disclosed
CN-108347943-A HEPATITIS B CORE PROTEIN MODULATORS 组装生物科学股份有限公司 2018-07-31 CN disclosed
EP-2855471-B1 QUINUCLIDINE, 1-AZABICYCLO[2.2.1]HEPTANE, 1-AZABICYCLO [3.2.1]OCTANE, and 1-AZABICYCLO[3.2.2]NONANE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS BRISTOL MYERS SQUIBB CO (US) 2017-11-15 EP disclosed
US-20090270405-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS BRISTOL-MYERS SQUIBB COMPANY 2009-10-29 US disclosed
US-20060069134-A1 Process for producing optically active alpha-substituted cysteine or salt thereof, intermediate therefor, and process for producing the same KANEKA CORPORATION (JP) 2006-03-30 US disclosed
EP-1548013-A1 PROCESS FOR PRODUCING OPTICALLY ACTIVE ALPHA-SUBSTITUTED CYSTEINE OR SALT THEREOF, INTERMEDIATE THEREFOR, AND PROCESS FOR PRODUCING THE SAME KANEKA CORPORATION (JP) 2005-06-29 EP 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 (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 1795/4885ALDH1A1 1082/4885LMNA 2215/4885
US-20110263605-A1 Azabicyclo[2.2.1]Heptane Compounds as Alpha-7 Nicotinic Acetylcholine Receptor Ligands CHRNA7, CHRNA2, CHRNA5 LTA4H 1634/4885ALDH1A1 531/4885LMNA 2732/4885
US-20090270405-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS CHRNA7, CHRNA5, CHRNA6 LTA4H 1795/4885ALDH1A1 1082/4885LMNA 2215/4885
US-20110269787-A1 Azabicyclic Compounds as Alpha-7 Nicotinic Acetylcholine Receptor Ligands CHRNA7, CHRNA6, CHRNA5 LTA4H 2038/4885ALDH1A1 1011/4885LMNA 2530/4885
US-20060069134-A1 Process for producing optically active alpha-substituted cysteine or salt thereof, intermediate therefor, and process for producing the same CTH, SLC7A11, CBS LTA4H 1178/4885ALDH1A1 344/4885LMNA 4633/4885

“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.