SCHEMBL942848

SCHEMBL942848

CCCCn1c(C)c(C)sc1=N

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RGS4 P49798 6/20 0.36
LMNA P02545 7/20 0.36
RAB9A P51151 7/20 0.36
SMN1; SMN2 Q16637 6/20 0.36
HTT P42858 5/20 0.36
NR2F2 P24468 2/20 0.36
RGS8 P57771 4/20 0.34
GSK3B P49841 1/20 0.34
TSHR P16473 1/20 0.34
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
ALDH1A1 P00352 3/20 0.31
MITF O75030 2/20 0.31
KDM4E B2RXH2 2/20 0.31
NPC1 O15118 6/20 0.31
NPSR1 Q6W5P4 5/20 0.31
SLC2A1 P11166 5/20 0.31
KMT2A Q03164 4/20 0.31
MEN1 O00255 3/20 0.31
S1PR2 O95136 2/20 0.31

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
Iodide SCHEMBL945029 0.98 RAB9A (0.39) RGS4LMNARAB9ASMN1; SMN2HTT
SCHEMBL4114417 0.94 RAB9A (0.37) RGS4LMNARAB9ASMN1; SMN2HTT
SCHEMBL3386346 0.74 CNR1 (0.44) RGS4SMN1; SMN2RGS8TSHRALDH1A1
SCHEMBL5278781 0.67 CNR2 (0.39) RGS4ALDH1A1CYP1A2CYP2C19
SCHEMBL3750688 0.65 RAB9A (0.41) RGS4LMNARAB9ASMN1; SMN2HTT
Bromide SCHEMBL4940305 0.65 CYP1A1 (0.48) LMNARAB9ASMN1; SMN2HTTNR2F2
SCHEMBL9982876 0.65 TNF (0.35) TSHRTDP1L3MBTL1ALDH1A1KMT2A
SCHEMBL964513 0.63 POLB (0.39) LMNARAB9ASMN1; SMN2HTTNR2F2
SCHEMBL4883169 0.60 TSHR (0.50) RGS4LMNASMN1; SMN2RGS8TSHR
SCHEMBL11448924 0.60 HSD11B1 (0.53) RGS4LMNARAB9ASMN1; SMN2HTT

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-8865753-B2 Compounds as cannabinoid receptor ligands ABBVIE INC. (US) 2014-10-21 US 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
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
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 (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-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 RGS4 1294/4885LMNA 2741/4885RAB9A 3418/4885
US-20110086832-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS CNR1, CNR2, GPR18 RGS4 514/4885LMNA 3709/4885RAB9A 1071/4885

“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.