SCHEMBL10095352

SCHEMBL10095352

CCOC(=O)c1ccc(-c2c(C#N)c3ccc(OC)cc3n2CC)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIK2 Q13002 3/20 0.48
GRIK1 P39086 1/20 0.48
MAPT P10636 7/20 0.43
NPC1 O15118 2/20 0.43
NLRP3 Q96P20 1/20 0.43
ALDH1A1 P00352 5/20 0.42
KDM4E B2RXH2 5/20 0.42
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
HPGD P15428 2/20 0.42
NT5E P21589 1/20 0.42
MAPK1 P28482 3/20 0.42
HTT P42858 2/20 0.42
HSD17B10 Q99714 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
RXFP1 Q9HBX9 1/20 0.41
POLB P06746 1/20 0.41
LMNA P02545 1/20 0.40
PABPC1 P11940 1/20 0.40
CASP3 P42574 1/20 0.40

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
SCHEMBL980280 0.89 GRIK2 (0.48) GRIK2GRIK1MAPTALDH1A1KDM4E
SCHEMBL2881153 0.88 GRIK2 (0.47) GRIK2GRIK1MAPTALDH1A1KDM4E
SCHEMBL10095252 0.86 GRIK2 (0.60) GRIK2GRIK1MAPTALDH1A1KDM4E
SCHEMBL10095298 0.86 GRIK2 (0.46) GRIK2GRIK1MAPTALDH1A1KDM4E
SCHEMBL10095556 0.86 GRIK2 (0.46) GRIK2GRIK1MAPTNPC1ALDH1A1
SCHEMBL10095580 0.85 TRPV1 (0.47) MAPTNPC1ALDH1A1MEN1KMT2A
SCHEMBL982904 0.85 MTNR1B (0.46) GRIK2GRIK1NPC1ALDH1A1KDM4E
SCHEMBL10095987 0.85 CNR1 (0.47) GRIK2GRIK1MAPTALDH1A1KDM4E
SCHEMBL10097238 0.85 GRIK2 (0.56) GRIK2GRIK1MAPTALDH1A1KDM4E
SCHEMBL12334969 0.84 GRIK2 (0.48) GRIK2GRIK1MAPTALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8927576-B2 HCV inhibitor and therapeutic agent combinations PTC Therpeutics, Inc. (US) 2015-01-06 US disclosed
US-8927576-B2 HCV inhibitor and therapeutic agent combinations PTC Therpeutics, Inc. (US) 2015-01-06 US disclosed
US-20120027721-A1 HCV Inhibitor and Therapeutic Agent Combinations PTC THERAPEUTICS, INC. (US) 2012-02-02 US disclosed
US-20120027721-A1 HCV Inhibitor and Therapeutic Agent Combinations PTC THERAPEUTICS, INC. (US) 2012-02-02 US disclosed
US-20120009142-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2012-01-12 US disclosed
US-20120009142-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2012-01-12 US disclosed
US-8013006-B2 Methods for treating hepatitis C PTC THERAPEUTICS, INC. (US) 2011-09-06 US disclosed
US-8013006-B2 Methods for treating hepatitis C PTC THERAPEUTICS, INC. (US) 2011-09-06 US disclosed
US-7868037-B2 Methods for treating hepatitis C PTC THERAPEUTICS, INC. (US) 2011-01-11 US disclosed
US-7868037-B2 Methods for treating hepatitis C PTC THERAPEUTICS, INC. (US) 2011-01-11 US disclosed
US-20080096928-A9 Indole compounds that modify translational control of Hepatitis C virus PTC THERAPEUTICS, INC. 2008-04-24 US disclosed
US-20080096928-A9 Indole compounds that modify translational control of Hepatitis C virus PTC THERAPEUTICS, INC. 2008-04-24 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 (3 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-20080096928-A9 Indole compounds that modify translational control of Hepatitis C virus EIF2AK2, INMT, IDO1 GRIK2 4509/4885GRIK1 4477/4885MAPT 3963/4885
US-20120009142-A1 METHODS FOR TREATING HEPATITIS C OAT, HAVCR2, HCCS GRIK2 4399/4885GRIK1 4352/4885MAPT 4416/4885
US-20120027721-A1 HCV Inhibitor and Therapeutic Agent Combinations HAVCR2, SERPINB1, ENPEP GRIK2 4491/4885GRIK1 4307/4885MAPT 4044/4885

“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.