Sugi Predict

Sugi Predict / Compounds / SCHEMBL944243

SCHEMBL944243

SCHEMBL944243

CCCCn1c2c(sc1=N)CCOC2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 8/20 0.38
▸ LMNA P02545 7/20 0.38
▸ SMN1; SMN2 Q16637 6/20 0.38
▸ HTT P42858 5/20 0.38
▸ NR2F2 P24468 2/20 0.38
▸ PDE1A P54750 2/20 0.38
▸ PDE1B Q01064 2/20 0.38
▸ PDE1C Q14123 2/20 0.38
▸ PDE4D Q08499 1/20 0.38
▸ NPC1 O15118 7/20 0.33
▸ SLC2A1 P11166 5/20 0.33
▸ NPSR1 Q6W5P4 4/20 0.33
▸ MEN1 O00255 4/20 0.33
▸ KMT2A Q03164 4/20 0.33
▸ ALDH1A1 P00352 4/20 0.33
▸ S1PR2 O95136 2/20 0.33
▸ CYP3A4 P08684 2/20 0.33
▸ MAPT P10636 2/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ POLB P06746 1/20 0.33

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
SCHEMBL3750688 0.86 RAB9A (0.41) RAB9ALMNASMN1; SMN2HTTNR2F2
Bromide SCHEMBL4940305 0.77 CYP1A1 (0.48) RAB9ALMNASMN1; SMN2HTTNR2F2
SCHEMBL5047353 0.67 ADORA2B (0.33) HTTALDH1A1MAPK1
SCHEMBL20739881 0.66 PDE4D (0.43) LMNASMN1; SMN2PDE1APDE1BPDE1C
SCHEMBL20739950 0.63 PDE4D (0.43) LMNASMN1; SMN2PDE1APDE1BPDE1C
SCHEMBL4900906 0.62 LMNA (0.30) RAB9ALMNASMN1; SMN2HTTNR2F2
SCHEMBL942848 0.62 RGS4 (0.36) RAB9ALMNASMN1; SMN2HTTNR2F2
SCHEMBL20739925 0.61 PDE4D (0.44) PDE1APDE1BPDE1CPDE4DALDH1A1
Iodide SCHEMBL945029 0.60 RAB9A (0.39) RAB9ALMNASMN1; SMN2HTTNR2F2
SCHEMBL4900911 0.58 LMNA (0.30) RAB9ALMNASMN1; SMN2HTTNR2F2

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 4 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
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 RAB9A 3418/4885LMNA 2741/4885SMN1; SMN2 1188/4885
US-20110086832-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS CNR1, CNR2, GPR18 RAB9A 1071/4885LMNA 3709/4885SMN1; SMN2 3675/4885

“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.