SCHEMBL5012240

SCHEMBL5012240

O=C1CN(C2CCCCC2)C(c2ccccc2)=N1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.41
CES2 O00748 1/20 0.40
IL4I1 Q96RQ9 1/20 0.40
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ATM Q13315 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
GAA P10253 1/20 0.38
ALOX15 P16050 1/20 0.38
HPGD P15428 1/20 0.38
ALDH1A1 P00352 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
OPRM1 P35372 1/20 0.37
OPRD1 P41143 1/20 0.37
OPRK1 P41145 1/20 0.37
OGFRL1 Q5TC84 1/20 0.37
GRM5 P41594 1/20 0.37

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
SCHEMBL5014179 0.69 LMNA (0.49) CES2MEN1KMT2ANPSR1GAA
SCHEMBL3033378 0.69 HSD11B1 (0.41) HSD11B1IL4I1NPSR1GRM5
SCHEMBL28623484 0.69 HPGD (0.40) HSD11B1CES2GAAALOX15HPGD
SCHEMBL17083743 0.67 SLC18A3 (0.39) HSD11B1CES2MEN1KMT2AATM
SCHEMBL14776447 0.65 NPSR1 (0.54) CES2KMT2ANPSR1HPGDALDH1A1
SCHEMBL19923636 0.64 ALDH1A1 (0.43) HSD11B1MEN1KMT2ANPSR1GAA
SCHEMBL29590229 0.64 GRM4 (0.48) HSD11B1MEN1KMT2AGAAHPGD
SCHEMBL23004922 0.62 OPRM1 (0.49) HSD11B1MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL31252781 0.62 MTR (0.59) MEN1KMT2AGAAALOX15HPGD
SCHEMBL30278373 0.62 OPRM1 (0.49) HSD11B1MEN1KMT2AALDH1A1SMN1; SMN2

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-20080249146-A1 Imidazole and Thioazole Derivatives as Antiviral Agents ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2008-10-09 US disclosed
CN-1997366-A Imidazole and thiazole derivatives as antiviral agents ANGELETTI P IST RICHERCHE BIO (IT) 2007-07-11 CN 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 HSD11B1 924/4885CES2 1424/4885IL4I1 446/4885

“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.