SCHEMBL5014038

SCHEMBL5014038

CCOC(=O)c1cc2c(nc(-c3ccccc3)n2C2CCCCC2)s1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OGFRL1 Q5TC84 5/20 0.50
OPRM1 P35372 4/20 0.50
OPRK1 P41145 4/20 0.50
OPRD1 P41143 3/20 0.50
GRK6 P43250 1/20 0.41
KDM4E B2RXH2 4/20 0.41
ALDH1A1 P00352 3/20 0.41
MAPT P10636 3/20 0.41
GAA P10253 2/20 0.41
MAPK1 P28482 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
HPGD P15428 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
CASP3 P42574 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
LMNA P02545 1/20 0.41
THRB P10828 1/20 0.41
ALOX12 P18054 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PDE7A Q13946 1/20 0.41

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
SCHEMBL5012191 0.86 HDAC1 (0.43) OGFRL1OPRM1OPRK1OPRD1GAA
SCHEMBL5014041 0.81 SIRT2 (0.54) KDM4EALDH1A1MAPTGAAMAPK1
SCHEMBL4284918 0.72 OGFRL1 (0.53) OGFRL1OPRM1OPRK1OPRD1GRK6
SCHEMBL4281769 0.72 OGFRL1 (0.53) OGFRL1OPRM1OPRK1OPRD1GRK6
SCHEMBL5513980 0.71 SIRT2 (0.56) OGFRL1OPRM1OPRK1OPRD1MAPT
SCHEMBL5513984 0.71 SIRT2 (0.56) OGFRL1OPRM1OPRK1OPRD1MAPT
SCHEMBL7169413 0.70 TDP1 (0.60) ALDH1A1MAPTGAAMAPK1HPGD
SCHEMBL9894423 0.70 MAPT (0.54) OGFRL1OPRM1OPRK1OPRD1KDM4E
SCHEMBL5511200 0.70 MAPT (0.58) MAPTGAAL3MBTL1HPGDSMN1; SMN2
SCHEMBL5514113 0.69 SIRT2 (0.54) OGFRL1OPRM1OPRK1OPRD1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080249146-A1 Imidazole and Thioazole Derivatives as Antiviral Agents ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2008-10-09 US disclosed
EP-1773331-A1 IMIDAZOLE AND THIAZOLE DERIVATIVES AS ANTIVIRAL AGENTS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) 2007-04-18 EP disclosed
WO-2006008556-A1 IMIDAZOLE AND THIAZOLE DERIVATIVES AS ANTIVIRAL AGENTS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2006-01-26 WO 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 (1 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-20080249146-A1 Imidazole and Thioazole Derivatives as Antiviral Agents IRF3, HAVCR2, ZC3HAV1 OGFRL1 2874/4885OPRM1 3014/4885OPRK1 2083/4885

“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.