SCHEMBL10096258

SCHEMBL10096258

CCCNC(=O)Nc1ccc(-c2c(C#N)c3ccc(OC)cc3n2CC)cc1C

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.41
TP53 P04637 1/20 0.40
GRIK2 Q13002 3/20 0.39
GRIK1 P39086 1/20 0.39
POLB P06746 2/20 0.39
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
HSD17B10 Q99714 1/20 0.39
MTNR1A P48039 3/20 0.38
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
RAB9A P51151 1/20 0.36
TDP1 Q9NUW8 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
SCHEMBL10096257 0.93 L3MBTL1 (0.42) L3MBTL1TP53GRIK2GRIK1POLB
SCHEMBL10096251 0.89 GRIK2 (0.43) L3MBTL1TP53GRIK2GRIK1POLB
SCHEMBL10192686 0.88 GRIK2 (0.42) GRIK2GRIK1KDM4EALDH1A1MAPK1
SCHEMBL10096255 0.88 SMN1; SMN2 (0.44) L3MBTL1TP53GRIK2GRIK1POLB
SCHEMBL10096256 0.87 SMN1; SMN2 (0.43) L3MBTL1GRIK2GRIK1POLBKDM4E
SCHEMBL13152119 0.87 TP53 (0.41) L3MBTL1TP53GRIK2GRIK1POLB
SCHEMBL10096207 0.86 MEN1 (0.39) GRIK2GRIK1KDM4EALDH1A1MAPK1
SCHEMBL10095576 0.85 ITGB3 (0.45) GRIK2KDM4EALDH1A1HTTHSD17B10
SCHEMBL10096206 0.83 GRIK1 (0.38) L3MBTL1GRIK2GRIK1POLBKDM4E
SCHEMBL10096248 0.83 GRIK2 (0.43) L3MBTL1GRIK2GRIK1KDM4EALDH1A1

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 15 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-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-7973069-B2 Methods for treating hepatitis C PTC THERAPEUTICS, INC. (US) 2011-07-05 US disclosed
US-7973069-B2 Methods for treating hepatitis C PTC THERAPEUTICS, INC. (US) 2011-07-05 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-20100292187-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2010-11-18 US disclosed
US-20100292187-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2010-11-18 US disclosed
US-7781478-B2 Methods for treating hepatitis C PTC THERAPEUTICS, INC. (US) 2010-08-24 US disclosed
US-7781478-B2 Methods for treating hepatitis C PTC THERAPEUTICS, INC. (US) 2010-08-24 US disclosed
US-20070299069-A1 Methods for treating hepatitis C PTC THERAPEUTICS, INC. 2007-12-27 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 (4 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 L3MBTL1 4311/4885TP53 1579/4885GRIK2 3701/4885
US-20100292187-A1 METHODS FOR TREATING HEPATITIS C HAVCR2, EIF2AK2, MAVS L3MBTL1 3501/4885TP53 1262/4885GRIK2 2948/4885
US-20070299069-A1 Methods for treating hepatitis C HAVCR2, EIF2AK2, MAVS L3MBTL1 3501/4885TP53 1262/4885GRIK2 2948/4885
US-20120027721-A1 HCV Inhibitor and Therapeutic Agent Combinations HAVCR2, SERPINB1, ENPEP L3MBTL1 3270/4885TP53 1710/4885GRIK2 4491/4885

“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.