SCHEMBL981767

SCHEMBL981767

CCn1c(-c2ccc(N3CCCS3(=O)=O)cc2)c(C#N)c2ccc(OC)cc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.43
MAPK1 P28482 2/20 0.43
HTT P42858 2/20 0.43
ALDH1A1 P00352 1/20 0.43
HSD17B10 Q99714 1/20 0.43
GRIK2 Q13002 3/20 0.42
GRIK1 P39086 1/20 0.42
LMNA P02545 3/20 0.39
TP53 P04637 2/20 0.38
MAPT P10636 2/20 0.37
MEN1 O00255 1/20 0.37
PABPC1 P11940 1/20 0.37
CASP3 P42574 1/20 0.37
KMT2A Q03164 1/20 0.37
NCOA1 Q15788 1/20 0.37
SENP6 Q9GZR1 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
NCOA3 Q9Y6Q9 1/20 0.37
PDE5A O76074 1/20 0.37

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
SCHEMBL10095819 0.93 PDE5A (0.39) KDM4EMAPK1HTTALDH1A1HSD17B10
SCHEMBL10096278 0.92 LMNA (0.38) KDM4EMAPK1HTTALDH1A1HSD17B10
SCHEMBL10096606 0.90 ESR1 (0.36) KDM4EMAPK1HTTALDH1A1HSD17B10
SCHEMBL979548 0.90 PDE4A (0.35) KDM4EMAPK1HTTALDH1A1HSD17B10
SCHEMBL10095834 0.90 ESR1 (0.37) KDM4EMAPK1HTTALDH1A1HSD17B10
SCHEMBL10095933 0.90 TP53 (0.43) KDM4EMAPK1HTTALDH1A1HSD17B10
SCHEMBL10095879 0.90 LMNA (0.37) KDM4EMAPK1HTTALDH1A1HSD17B10
SCHEMBL981032 0.90 MAPT (0.36) KDM4EMAPK1HTTALDH1A1HSD17B10
SCHEMBL10096313 0.89 MAPT (0.34) KDM4EMAPK1HTTALDH1A1HSD17B10
SCHEMBL12106339 0.89 TP53 (0.34) KDM4EMAPK1HTTALDH1A1HSD17B10

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 47 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-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
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 KDM4E 4020/4885MAPK1 4248/4885HTT 3147/4885
US-20110268698-A1 METHODS FOR TREATING HEPATITIS C HAVCR2, LIPC, HCCS KDM4E 3422/4885MAPK1 4616/4885HTT 4087/4885
US-20120009142-A1 METHODS FOR TREATING HEPATITIS C OAT, HAVCR2, HCCS KDM4E 3703/4885MAPK1 4384/4885HTT 3355/4885
US-20060189606-A1 Methods for treating hepatitis C HAVCR2, EIF2AK2, MAVS KDM4E 4020/4885MAPK1 4248/4885HTT 3147/4885
US-20070299069-A1 Methods for treating hepatitis C HAVCR2, EIF2AK2, MAVS KDM4E 4020/4885MAPK1 4248/4885HTT 3147/4885
US-20060223863-A1 Methods for treating Hepatitis C OAT, HAVCR2, HCCS KDM4E 3703/4885MAPK1 4384/4885HTT 3355/4885
US-20120027721-A1 HCV Inhibitor and Therapeutic Agent Combinations HAVCR2, SERPINB1, ENPEP KDM4E 4208/4885MAPK1 3869/4885HTT 4273/4885

“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.