SCHEMBL2573129

SCHEMBL2573129

CCOC(=O)c1csc(-c2cn(CC3CCOCC3)c(C(C)(C)C)n2)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.41
NPC1 O15118 4/20 0.41
CLK1 P49759 1/20 0.41
MAPT P10636 3/20 0.41
ALDH1A1 P00352 2/20 0.41
POLB P06746 2/20 0.40
PKM P14618 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
CNR2 P34972 5/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
GAA P10253 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
CYP19A1 P11511 1/20 0.37
CNR1 P21554 3/20 0.37
KCNH2 Q12809 2/20 0.36
CASP3 P42574 1/20 0.36
CASP7 P55210 1/20 0.36
CASP8 Q14790 1/20 0.36

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
SCHEMBL2568599 0.88 CNR2 (0.39) CNR2CNR1KCNH2
SCHEMBL3418534 0.86 CNR1 (0.40) CNR2CNR1KCNH2
SCHEMBL2570404 0.84 ALDH1A1 (0.40) MAPTALDH1A1POLBCNR2CNR1
SCHEMBL2570156 0.76 CNR2 (0.40) CNR2CNR1
SCHEMBL2572007 0.75 CNR2 (0.39) CNR2CNR1
SCHEMBL2570363 0.74 CNR2 (0.39) CNR2CNR1
SCHEMBL2570054 0.73 CNR2 (0.38) CNR2CNR1KCNH2
SCHEMBL3422360 0.73 CNR2 (0.40) CNR2CNR1
SCHEMBL2571738 0.72 MARK3 (0.39) CNR2CNR1
SCHEMBL2570734 0.72 CNR2 (0.38) CNR2CNR1KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120289502-A1 IMIDAZOLE DERIVATIVES KYOWA HAKKO KIRIN CO., LTD. (JP) 2012-11-15 US disclosed
US-8273738-B2 Imidazole derivatives KYOWA HAKKO KIRIN CO., LTD. (JP) 2012-09-25 US disclosed
EP-2090570-B1 IMIDAZOLE DERIVATIVE KYOWA HAKKO KIRIN CO LTD (JP) 2011-11-09 EP disclosed
US-20100152178-A1 IMIDAZOLE DERIVATIVES KYOWA HAKKO KIRIN CO., LTD. (JP) 2010-06-17 US disclosed
EP-2090570-A1 IMIDAZOLE DERIVATIVE Kyowa Hakko Kirin Co., Ltd. (JP) 2009-08-19 EP 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-20120289502-A1 IMIDAZOLE DERIVATIVES CNR1, CNR2, ARRB1 RAB9A 1616/4885NPC1 543/4885CLK1 1014/4885
US-20100152178-A1 IMIDAZOLE DERIVATIVES CNR1, CNR2, ARRB1 RAB9A 1616/4885NPC1 543/4885CLK1 1014/4885

“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.