Sugi Predict

Sugi Predict / Compounds / SCHEMBL945004

SCHEMBL945004

SCHEMBL945004

CCCCn1c(C)c(C)s/c1=N\C(=O)c1cc(Cl)ccc1OC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIM1 P11309 1/20 0.50
▸ CLK2 P49760 1/20 0.50
▸ CLK4 Q9HAZ1 1/20 0.50
▸ CNR2 P34972 10/20 0.49
▸ ALDH1A1 P00352 4/20 0.44
▸ KDM4E B2RXH2 4/20 0.44
▸ LMNA P02545 2/20 0.44
▸ HPGD P15428 2/20 0.44
▸ TSHR P16473 1/20 0.44
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ PKM P14618 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ CNR1 P21554 1/20 0.42
▸ MAPT P10636 2/20 0.40
▸ PPARG P37231 1/20 0.40
▸ NCOA2 Q15596 1/20 0.40

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
SCHEMBL945005 1.00 PIM1 (0.50) PIM1CLK2CLK4CNR2ALDH1A1
SCHEMBL3384346 0.89 CNR2 (0.47) PIM1CLK2CLK4CNR2ALDH1A1
SCHEMBL3384351 0.89 CNR2 (0.47) PIM1CLK2CLK4CNR2ALDH1A1
SCHEMBL3384552 0.89 PIM1 (0.63) PIM1CLK2CLK4CNR2ALDH1A1
SCHEMBL3384557 0.89 PIM1 (0.63) PIM1CLK2CLK4CNR2ALDH1A1
SCHEMBL947059 0.88 CNR2 (0.56) CNR2CNR1NPC1RAB9A
SCHEMBL947062 0.88 CNR2 (0.56) CNR2CNR1NPC1RAB9A
SCHEMBL943793 0.88 ALDH1A1 (0.44) PIM1CLK2CLK4CNR2ALDH1A1
SCHEMBL944736 0.88 ALDH1A1 (0.46) PIM1CLK2CLK4CNR2ALDH1A1
SCHEMBL944735 0.88 ALDH1A1 (0.46) PIM1CLK2CLK4CNR2ALDH1A1

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 PIM1 4677/4885CLK2 1735/4885CLK4 3340/4885
US-20110086832-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS CNR1, CNR2, GPR18 PIM1 3269/4885CLK2 992/4885CLK4 1798/4885

“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.