SCHEMBL10097342

SCHEMBL10097342

CCn1c(-c2cccc(NC(=O)OCS)c2)c(C#N)c2ccc(OC(C)C)cc21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN2A Q99250 1/20 0.36
SCN10A Q9Y5Y9 1/20 0.36
CNR1 P21554 1/20 0.36
ALDH1A1 P00352 4/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
MAPK1 P28482 2/20 0.36
POLB P06746 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
RORC P51449 3/20 0.36
MAPT P10636 4/20 0.35
HPGD P15428 3/20 0.35
KDM4E B2RXH2 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
GAA P10253 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
SCHEMBL10095755 0.93 MAPK1 (0.42) SCN2ASCN10ACNR1ALDH1A1MEN1
SCHEMBL10095766 0.92 CNR1 (0.38) SCN2ASCN10ACNR1ALDH1A1MEN1
SCHEMBL10095763 0.92 LMNA (0.42) SCN2ASCN10ACNR1ALDH1A1MEN1
SCHEMBL10095757 0.92 HPGD (0.41) SCN2ASCN10ACNR1ALDH1A1MEN1
SCHEMBL10095754 0.91 ALDH1A1 (0.39) SCN2ASCN10ACNR1ALDH1A1MEN1
SCHEMBL10097683 0.91 HPGD (0.44) SCN2ASCN10ACNR1ALDH1A1MEN1
SCHEMBL10095758 0.91 BTK (0.41) SCN2ASCN10ACNR1ALDH1A1MEN1
SCHEMBL10097280 0.90 SCN2A (0.35) SCN2ASCN10ACNR1ALDH1A1MEN1
SCHEMBL10095759 0.90 SCN2A (0.37) SCN2ASCN10ACNR1ALDH1A1MEN1
SCHEMBL10095760 0.90 SCN2A (0.35) SCN2ASCN10ACNR1ALDH1A1MEN1

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-20120027721-A1 HCV Inhibitor and Therapeutic Agent Combinations PTC THERAPEUTICS, INC. (US) 2012-02-02 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 (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-20120027721-A1 HCV Inhibitor and Therapeutic Agent Combinations HAVCR2, SERPINB1, ENPEP SCN2A 4416/4885SCN10A 4414/4885CNR1 2056/4885

“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.