SCHEMBL10249866

SCHEMBL10249866

CCn1c(-c2ccc(OCCNS(=O)(=O)CC)cc2)c(N)c2ccc(OC)cc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIK2 Q13002 4/20 0.42
GRIK1 P39086 2/20 0.42
ALDH1A1 P00352 2/20 0.41
HTT P42858 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MAPK1 P28482 1/20 0.41
HSD17B10 Q99714 1/20 0.41
DYRK1A Q13627 3/20 0.40
MTNR1A P48039 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
PDE5A O76074 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
MAPT P10636 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
RXFP1 Q9HBX9 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
SCHEMBL13152225 0.92 ALDH1A1 (0.43) GRIK2GRIK1ALDH1A1HTTKDM4E
SCHEMBL10095463 0.85 GRIK2 (0.43) GRIK2GRIK1ALDH1A1HTTKDM4E
SCHEMBL10252464 0.85 GRIK2 (0.43) GRIK2GRIK1ALDH1A1HTTKDM4E
SCHEMBL13152230 0.84 MTNR1A (0.53) GRIK2GRIK1ALDH1A1HTTKDM4E
SCHEMBL13152033 0.83 GRIK2 (0.46) GRIK2GRIK1ALDH1A1HTTKDM4E
SCHEMBL13152185 0.83 GRIK2 (0.49) GRIK2GRIK1ALDH1A1HTTKDM4E
SCHEMBL13152059 0.83 GRIK2 (0.49) GRIK2GRIK1ALDH1A1HTTKDM4E
SCHEMBL13152064 0.83 GRIK2 (0.49) GRIK2GRIK1ALDH1A1HTTKDM4E
SCHEMBL10256100 0.82 GRIK2 (0.41) GRIK2GRIK1ALDH1A1HTTKDM4E
SCHEMBL13152426 0.82 GRIK2 (0.48) GRIK2GRIK1ALDH1A1HTTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120009142-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2012-01-12 US disclosed
WO-2010118009-A1 HCV INHIBITOR AND THERAPEUTIC AGENT COMBINATIONS PTC THERAPEUTICS, INC. (US) 2010-10-14 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-20120009142-A1 METHODS FOR TREATING HEPATITIS C OAT, HAVCR2, HCCS GRIK2 4399/4885GRIK1 4352/4885ALDH1A1 591/4885

“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.