SCHEMBL10193451

SCHEMBL10193451

CCn1c(-c2ccc(OCCNS(C)(=O)=O)cc2)c(C#N)c2ccc(C)cc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
ALK Q9UM73 2/20 0.42
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
HTT P42858 1/20 0.39
PKM P14618 2/20 0.37
ROCK2 O75116 2/20 0.37
MAP4K4 O95819 2/20 0.37
PIM1 P11309 2/20 0.37
PRKACA P17612 2/20 0.37
CDK2 P24941 2/20 0.37
GSK3B P49841 2/20 0.37
HIPK2 Q9H2X6 2/20 0.37
CDC7 O00311 1/20 0.37
IRAK4 Q9NWZ3 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
GRIK2 Q13002 2/20 0.36
GRIK1 P39086 1/20 0.36
ESR1 P03372 2/20 0.35
DYRK3 O43781 1/20 0.35

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
SCHEMBL982297 0.91 GRIK2 (0.43) ALDH1A1ALKMEN1KMT2AHTT
SCHEMBL10193460 0.85 GRIK2 (0.37) ALDH1A1MEN1KMT2AGRIK2GRIK1
SCHEMBL10193457 0.85 MTNR1A (0.43) ALDH1A1ALKESR1NPC1TSHR
SCHEMBL10095463 0.84 GRIK2 (0.43) ALDH1A1MEN1KMT2AHTTSMN1; SMN2
SCHEMBL10193447 0.84 GRIK2 (0.42) ALDH1A1MEN1KMT2AHTTSMN1; SMN2
SCHEMBL10193458 0.83 MMP3 (0.46) ALDH1A1MEN1KMT2AGRIK2GRIK1
SCHEMBL10193446 0.83 GRIK2 (0.41) ALDH1A1MEN1KMT2AHTTSMN1; SMN2
SCHEMBL10193452 0.83 GRIK2 (0.41) ALDH1A1ALKHTTSMN1; SMN2GRIK2
SCHEMBL10193441 0.83 GRIK2 (0.44) ALDH1A1HTTSMN1; SMN2GRIK2GRIK1
SCHEMBL10193531 0.82 GRIK2 (0.44) ALDH1A1MEN1KMT2AGRIK2GRIK1

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-20120009142-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2012-01-12 US disclosed
US-20110268698-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2011-11-03 US disclosed
US-8013006-B2 Methods for treating hepatitis C PTC THERAPEUTICS, INC. (US) 2011-09-06 US 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-20110268698-A1 METHODS FOR TREATING HEPATITIS C HAVCR2, LIPC, HCCS ALDH1A1 563/4885ALK 4044/4885MEN1 4825/4885
US-20120009142-A1 METHODS FOR TREATING HEPATITIS C OAT, HAVCR2, HCCS ALDH1A1 591/4885ALK 4861/4885MEN1 4815/4885

“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.