SCHEMBL10096256

SCHEMBL10096256

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.43
GRIK2 Q13002 3/20 0.40
GRIK1 P39086 1/20 0.40
KDR P35968 5/20 0.40
EGFR P00533 4/20 0.40
ALDH1A1 P00352 3/20 0.39
MAPK1 P28482 3/20 0.39
KDM4E B2RXH2 2/20 0.39
HTT P42858 2/20 0.39
HSD17B10 Q99714 1/20 0.39
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
PABPC1 P11940 1/20 0.35
CASP3 P42574 1/20 0.35
NCOA1 Q15788 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
SCHEMBL10096255 0.94 SMN1; SMN2 (0.44) SMN1; SMN2GRIK2GRIK1KDREGFR
SCHEMBL10096251 0.92 GRIK2 (0.43) SMN1; SMN2GRIK2GRIK1ALDH1A1MAPK1
SCHEMBL979619 0.90 SMN1; SMN2 (0.42) SMN1; SMN2GRIK2GRIK1ALDH1A1MAPK1
SCHEMBL10095497 0.88 SMN1; SMN2 (0.42) SMN1; SMN2GRIK2GRIK1KDREGFR
SCHEMBL13152117 0.88 SMN1; SMN2 (0.44) SMN1; SMN2GRIK2GRIK1KDREGFR
SCHEMBL10096258 0.87 L3MBTL1 (0.41) GRIK2GRIK1ALDH1A1MAPK1KDM4E
SCHEMBL10096257 0.87 L3MBTL1 (0.42) GRIK2GRIK1ALDH1A1MAPK1KDM4E
SCHEMBL10095487 0.86 HPGD (0.43) SMN1; SMN2GRIK2ALDH1A1MAPK1KDM4E
SCHEMBL10096177 0.85 ALDH1A1 (0.41) GRIK2GRIK1ALDH1A1MAPK1KDM4E
SCHEMBL10096180 0.84 GRIK2 (0.39) SMN1; SMN2GRIK2GRIK1ALDH1A1MAPK1

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 SMN1; SMN2 4206/4885GRIK2 3701/4885GRIK1 3372/4885
US-20100292187-A1 METHODS FOR TREATING HEPATITIS C HAVCR2, EIF2AK2, MAVS SMN1; SMN2 3609/4885GRIK2 2948/4885GRIK1 2562/4885
US-20070299069-A1 Methods for treating hepatitis C HAVCR2, EIF2AK2, MAVS SMN1; SMN2 3609/4885GRIK2 2948/4885GRIK1 2562/4885
US-20120027721-A1 HCV Inhibitor and Therapeutic Agent Combinations HAVCR2, SERPINB1, ENPEP SMN1; SMN2 4565/4885GRIK2 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.