SCHEMBL343717

SCHEMBL343717

COc1ccc(Cl)cc1C(=O)Nc1ncc(Br)s1

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KCNMA1 Q12791 4/20 0.64
ALDH1A1 P00352 4/20 0.59
KDM4E B2RXH2 3/20 0.59
HPGD P15428 2/20 0.59
HSD17B10 Q99714 1/20 0.59
MAPT P10636 3/20 0.56
NPC1 O15118 2/20 0.56
GAA P10253 2/20 0.53
NPSR1 Q6W5P4 2/20 0.53
RXFP1 Q9HBX9 1/20 0.53
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
LMNA P02545 1/20 0.51
HTT P42858 1/20 0.49
POLB P06746 1/20 0.48
RAB9A P51151 1/20 0.48
KLF5 Q13887 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
FFAR2 O15552 1/20 0.48

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
SCHEMBL345091 0.88 KCNMA1 (0.67) KCNMA1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL345233 0.87 KCNMA1 (0.65) KCNMA1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL345604 0.84 KCNMA1 (0.61) KCNMA1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL5835868 0.84 KCNMA1 (0.61) KCNMA1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL17770536 0.83 KCNMA1 (0.60) KCNMA1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL13524051 0.83 KCNMA1 (0.61) KCNMA1MAPTNPC1HTTRAB9A
SCHEMBL13524050 0.80 FBP1 (0.50) KCNMA1NPC1LMNARAB9AFFAR2
SCHEMBL13524024 0.78 LMNA (0.50) ALDH1A1KDM4EHPGDHSD17B10MAPT
SCHEMBL3261622 0.77 LRRK2 (0.46) ALDH1A1KDM4EHPGDHSD17B10MAPT
SCHEMBL344352 0.75 ALDH1A1 (0.67) KCNMA1ALDH1A1KDM4EHPGDHSD17B10

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8865753-B2 Compounds as cannabinoid receptor ligands ABBVIE INC. (US) 2014-10-21 US disclosed
US-8338467-B2 Compounds as cannabinoid receptor ligands ABBVIE INC. (US) 2012-12-25 US disclosed
US-20120015929-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS ABBOTT LABORATORIES (US) 2012-01-19 US disclosed
US-8058293-B2 Compounds as cannabinoid receptor ligands ABBOTT LABORATORIES (US) 2011-11-15 US disclosed
CN-102036984-A Novel compounds as cannabinoid receptor ligands ABBOTT LAB 2011-04-27 CN disclosed
US-20110086832-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS ABBOTT LABORATORIES (US) 2011-04-14 US disclosed
US-7875640-B2 N-[(2Z)-3-butyl-4,5-dimethyl-1,3-thiazol-2(3H)-ylidene]-5-chloro-N',2-dimethoxybenzenecarboximidamide; CB2 receptors ligand; antiinflammatory, analgesic agent; autoimmune diseases; neuroprotectants ABBOTT LABORATORIES (US) 2011-01-25 US disclosed
EP-2274306-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS Abbott Laboratories (US) 2011-01-19 EP disclosed
CN-101765594-A 1,3-thiazoles-2 (3H)-ylidene compounds as cannabinoid receptor ligand ABBOTT LAB 2010-06-30 CN disclosed
EP-2142522-A1 1, 3-THIAZOL-2 (3H) -YLIDENE COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS Abbott Laboratories (US) 2010-01-13 EP disclosed
US-20090247500-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS ABBOTT LABORATORIES (US) 2009-10-01 US disclosed
WO-2009114566-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS ABBOTT LABORATORIES (US) 2009-09-17 WO disclosed
WO-2008121558-A1 1, 3-THIAZOL-2 (3H) -YLIDENE COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS ABBOTT LABORATORIES (US) 2008-10-09 WO disclosed
US-20080242654-A1 N-[(2Z)-3-butyl-4,5-dimethyl-1,3-thiazol-2(3H)-ylidene]-5-chloro-N',2-dimethoxybenzenecarboximidamide; CB2 receptors ligand; antiinflammatory, analgesic agent; autoimmune diseases; neuroprotectants ABBOTT LABORATORIES (US) 2008-10-02 US 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 (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-20080242654-A1 N-[(2Z)-3-butyl-4,5-dimethyl-1,3-thiazol-2(3H)-ylidene]-5-chloro-N',2-dimethoxybenzenecarboximidamide; CB2 receptors ligand; antiinflammatory, analgesic agent; autoimmune diseases; neuroprotectants CNR2, CNR1, TRPV1 KCNMA1 910/4885ALDH1A1 1513/4885KDM4E 2588/4885
US-20110086832-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS CNR1, CNR2, GPR18 KCNMA1 1419/4885ALDH1A1 1147/4885KDM4E 1613/4885
US-20120015929-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS CNR1, CNR2, OPRL1 KCNMA1 1302/4885ALDH1A1 1685/4885KDM4E 1655/4885
US-20090247500-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS CNR1, CNR2, OPRL1 KCNMA1 1302/4885ALDH1A1 1685/4885KDM4E 1655/4885

“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.