SCHEMBL980098

SCHEMBL980098

CCNC(=O)NCCOc1ccc(-c2c(C#N)c3ccc(OC)cc3n2CC)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 1/20 0.45
GRIK2 Q13002 3/20 0.41
GRIK1 P39086 1/20 0.41
MTNR1A P48039 7/20 0.39
LMNA P02545 2/20 0.39
MTNR1B P49286 5/20 0.38
KDM4E B2RXH2 3/20 0.38
MAPK1 P28482 2/20 0.38
HTT P42858 2/20 0.38
ALDH1A1 P00352 1/20 0.38
HSD17B10 Q99714 1/20 0.38
MAPT P10636 2/20 0.37
POLB P06746 1/20 0.37
MEN1 O00255 1/20 0.36
PABPC1 P11940 1/20 0.36
CASP3 P42574 1/20 0.36
KMT2A Q03164 1/20 0.36
NCOA1 Q15788 1/20 0.36
SENP6 Q9GZR1 1/20 0.36
TDP1 Q9NUW8 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
SCHEMBL10193458 0.92 MMP3 (0.46) MMP3GRIK2GRIK1KDM4EMAPK1
SCHEMBL982397 0.91 MTNR1A (0.50) MMP3GRIK2GRIK1MTNR1AMTNR1B
SCHEMBL10256100 0.86 GRIK2 (0.41) MMP3GRIK2GRIK1MTNR1ALMNA
SCHEMBL10095556 0.85 GRIK2 (0.46) GRIK2GRIK1LMNAKDM4EMAPK1
SCHEMBL982491 0.84 GRIK2 (0.49) GRIK2GRIK1LMNAKDM4EMAPK1
SCHEMBL4900506 0.84 MMP2 (0.41) MMP3GRIK2GRIK1LMNAKDM4E
SCHEMBL979429 0.84 GRIK2 (0.43) MMP3GRIK2GRIK1LMNAKDM4E
SCHEMBL982297 0.83 GRIK2 (0.43) GRIK2GRIK1MTNR1ALMNAKDM4E
SCHEMBL10095463 0.83 GRIK2 (0.43) GRIK2GRIK1MTNR1ALMNAKDM4E
SCHEMBL10192686 0.83 GRIK2 (0.42) GRIK2GRIK1MTNR1BKDM4EMAPK1

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 44 patents — showing the first 20. 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-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-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
US-20070299069-A1 Methods for treating hepatitis C PTC THERAPEUTICS, INC. 2007-12-27 US disclosed
US-20070299069-A1 Methods for treating hepatitis C PTC THERAPEUTICS, INC. 2007-12-27 US disclosed
US-20070299068-A1 Methods for treating hepatitis C PTC THERAPEUTICS, INC. 2007-12-27 US disclosed
US-20070299068-A1 Methods for treating hepatitis C PTC THERAPEUTICS, INC. 2007-12-27 US disclosed
WO-2007084413-A2 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2007-07-26 WO disclosed
WO-2007084435-A2 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2007-07-26 WO disclosed
EP-1771169-A1 METHODS FOR TREATING HEPATITIS C PTC Therapeutics, Inc. (US) 2007-04-11 EP disclosed
US-20060223863-A1 Methods for treating Hepatitis C KARP GARY M 2006-10-05 US disclosed
US-20060189606-A1 Methods for treating hepatitis C PTC THERAPEUTICS, INC. 2006-08-24 US disclosed
WO-2006019831-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2006-02-23 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 (7 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-20070299068-A1 Methods for treating hepatitis C HAVCR2, EIF2AK2, MAVS MMP3 896/4885GRIK2 2948/4885GRIK1 2562/4885
US-20110268698-A1 METHODS FOR TREATING HEPATITIS C HAVCR2, LIPC, HCCS MMP3 989/4885GRIK2 3701/4885GRIK1 3372/4885
US-20120009142-A1 METHODS FOR TREATING HEPATITIS C OAT, HAVCR2, HCCS MMP3 696/4885GRIK2 4399/4885GRIK1 4352/4885
US-20060189606-A1 Methods for treating hepatitis C HAVCR2, EIF2AK2, MAVS MMP3 896/4885GRIK2 2948/4885GRIK1 2562/4885
US-20070299069-A1 Methods for treating hepatitis C HAVCR2, EIF2AK2, MAVS MMP3 896/4885GRIK2 2948/4885GRIK1 2562/4885
US-20060223863-A1 Methods for treating Hepatitis C OAT, HAVCR2, HCCS MMP3 696/4885GRIK2 4399/4885GRIK1 4352/4885
US-20120027721-A1 HCV Inhibitor and Therapeutic Agent Combinations HAVCR2, SERPINB1, ENPEP MMP3 190/4885GRIK2 4491/4885GRIK1 4307/4885

“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.