SCHEMBL3382950

SCHEMBL3382950

CC(=O)c1sc(=N)n(C[C@H]2CCCO2)c1C

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.60
GAA P10253 4/20 0.49
HTT P42858 1/20 0.49
ALDH1A1 P00352 7/20 0.43
RAB9A P51151 3/20 0.43
HSD17B10 Q99714 2/20 0.43
TSHR P16473 4/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
TP53 P04637 1/20 0.41
MAPT P10636 1/20 0.40
NPC1 O15118 2/20 0.40
KDM4E B2RXH2 3/20 0.39
MEN1 O00255 2/20 0.39
GLA P06280 1/20 0.39
HPGD P15428 1/20 0.39
CYP2C19 P33261 1/20 0.39
RECQL P46063 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
EPHX2 P34913 1/20 0.37

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
SCHEMBL3382955 1.00 KMT2A (0.60) KMT2AGAAHTTALDH1A1RAB9A
SCHEMBL2169596 0.80 KMT2A (0.50) KMT2AGAAHTTALDH1A1RAB9A
SCHEMBL2169593 0.80 KMT2A (0.50) KMT2AGAAHTTALDH1A1RAB9A
Bromide SCHEMBL3383397 0.79 KMT2A (0.49) KMT2AGAAHTTALDH1A1RAB9A
SCHEMBL4276772 0.76 ALDH1A1 (0.49) KMT2AGAAHTTALDH1A1RAB9A
Bromide SCHEMBL963221 0.75 KMT2A (0.44) KMT2AGAAHTTALDH1A1RAB9A
SCHEMBL944234 0.67 KMT2A (0.41) KMT2AGAAALDH1A1RAB9AHSD17B10
SCHEMBL944233 0.67 KMT2A (0.41) KMT2AGAAALDH1A1RAB9AHSD17B10
SCHEMBL3383161 0.67 KMT2A (0.41) KMT2AGAAALDH1A1RAB9AHSD17B10
SCHEMBL28948010 0.66 KMT2A (0.47) KMT2AGAAHTTALDH1A1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8841334-B2 Compounds as cannabinoid receptor ligands and uses thereof ABBVIE INC. (US) 2014-09-23 US disclosed
US-8546583-B2 Pain, inflammatory or immune disorders, neurological disorders, cancers of the immune system, respiratory disorders, cardiovascular disorders, neuroprotection; e.g. 5-chloro-N-[(2Z)-5-(1-hydroxy-1-methylethyl)-3-[((cis)-3-methoxycyclobutyl)methyl]-4-methyl-1,3-thiazol-2(3H)-ylidene]-2-methoxybenzamide ABBVIE INC. (US) 2013-10-01 US disclosed
EP-2222165-B1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF ABBVIE INC (US) 2013-07-31 EP disclosed
EP-2222165-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF ABBOTT LABORATORIES (US) 2010-09-01 EP disclosed
US-20100093814-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF ABBOTT LABORATORIES (US) 2010-04-15 US disclosed
WO-2009067613-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF ABBOTT LABORATORIES (US) 2009-05-28 WO disclosed
US-20080058335-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF ABBVIE INC. 2008-03-06 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 (2 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-20100093814-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF CNR1, CNR2, OPRL1 KMT2A 1378/4885GAA 2344/4885HTT 3432/4885
US-20080058335-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF CNR1, CNR2, OPRL1 KMT2A 1609/4885GAA 2192/4885HTT 3186/4885

“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.