SCHEMBL6760740

SCHEMBL6760740

c1ccc2c(c1)C[N]CCS2

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
RYR2 Q92736 6/20 0.46
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
KMT2A Q03164 1/20 0.34
POLB P06746 2/20 0.32
HPGD P15428 2/20 0.32
NPSR1 Q6W5P4 1/20 0.32

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
SCHEMBL1012871 0.70
SCHEMBL29387129 0.70
SCHEMBL8997 0.70
SCHEMBL1267700 0.67 RYR2 (0.50) RYR2MEN1ALDH1A1GAAKMT2A
SCHEMBL30118876 0.67 RYR2 (0.50) RYR2MEN1ALDH1A1GAAKMT2A
SCHEMBL130168 0.67 RYR2 (0.50) RYR2MEN1ALDH1A1GAAKMT2A
SCHEMBL23867 0.66 TSHR (0.46)
SCHEMBL2764305 0.66
SCHEMBL23593 0.66
SCHEMBL31001736 0.66 ALDH1A1 (0.48) RYR2MEN1ALDH1A1GAAKMT2A

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-20040110718-A1 Anti-HCV nucleoside derivatives DEVOS RENE (GB) 2004-06-10 US disclosed
WO-2002018404-A9 NUCLEOSIDE DERIVATIVES FOR THE TREATMENT OF HEPATITIS C HOFFMANN LA ROCHE (CH) 2003-10-02 WO disclosed
EP-1315736-A2 NUCLEOSIDE DERIVATIVES FOR THE TREATMENT OF HEPATITIS C F. HOFFMANN-LA ROCHE AG (CH) 2003-06-04 EP disclosed
US-20030008841-A1 Anti-HCV nucleoside derivatives F. HOFFMAN-LA ROCHE, A SWISS COMPANY (CH) 2003-01-09 US disclosed
WO-2002018404-A2 NUCLEOSIDE DERIVATIVES FOR THE TREATMENT OF HEPATITIS C F. HOFFMANN-LA ROCHE AG (CH) 2002-03-07 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 (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-20030008841-A1 Anti-HCV nucleoside derivatives PNP, HAVCR2, NUDT14 RYR2 4369/4885MEN1 4883/4885ALDH1A1 596/4885
US-20040110718-A1 Anti-HCV nucleoside derivatives PNP, HAVCR2, NUDT14 RYR2 4369/4885MEN1 4883/4885ALDH1A1 596/4885

“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.