SCHEMBL981834

SCHEMBL981834

COc1ccc2c(C#N)c(-c3ccc(N4CCCS4(=O)=O)cc3)n(CC3CC3)c2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.39
CNR2 P34972 2/20 0.37
CNR1 P21554 1/20 0.37
TP53 P04637 2/20 0.36
GRM2 Q14416 1/20 0.35
KDM4E B2RXH2 2/20 0.35
MAPK1 P28482 2/20 0.35
HTT P42858 2/20 0.35
MEN1 O00255 1/20 0.35
MAPT P10636 1/20 0.35
PABPC1 P11940 1/20 0.35
CASP3 P42574 1/20 0.35
KMT2A Q03164 1/20 0.35
NCOA1 Q15788 1/20 0.35
SENP6 Q9GZR1 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
NCOA3 Q9Y6Q9 1/20 0.35
PDE4A P27815 1/20 0.34
PADI4 Q9UM07 2/20 0.34

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
SCHEMBL981835 0.90 CNR2 (0.37) LMNACNR2CNR1GRM2KDM4E
SCHEMBL981767 0.89 KDM4E (0.43) LMNATP53KDM4EMAPK1HTT
SCHEMBL10193509 0.89 PDE1C (0.37) CNR1TP53PADI4AKR1C3
SCHEMBL10095826 0.89 NSD2 (0.32) LMNAPDE4APADI4
SCHEMBL10096278 0.89 LMNA (0.38) LMNATP53KDM4EMAPK1HTT
SCHEMBL10095819 0.88 PDE5A (0.39) LMNACNR2CNR1TP53KDM4E
SCHEMBL13152817 0.88 LMNA (0.41) LMNACNR2CNR1TP53KDM4E
SCHEMBL10095879 0.87 LMNA (0.37) LMNATP53GRM2KDM4EMAPK1
SCHEMBL14466447 0.87 ESR1 (0.36) LMNAKDM4EHTTMEN1MAPT
SCHEMBL12106336 0.85 GRM2 (0.34) LMNAGRM2KDM4EMAPK1HTT

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 41 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-20080096928-A9 Indole compounds that modify translational control of Hepatitis C virus PTC THERAPEUTICS, INC. 2008-04-24 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
US-20070299068-A1 Methods for treating hepatitis C PTC THERAPEUTICS, INC. 2007-12-27 US 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 (8 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 LMNA 4373/4885CNR2 821/4885CNR1 756/4885
US-20070299068-A1 Methods for treating hepatitis C HAVCR2, EIF2AK2, MAVS LMNA 1012/4885CNR2 2462/4885CNR1 1791/4885
US-20110268698-A1 METHODS FOR TREATING HEPATITIS C HAVCR2, LIPC, HCCS LMNA 1241/4885CNR2 1233/4885CNR1 992/4885
US-20120009142-A1 METHODS FOR TREATING HEPATITIS C OAT, HAVCR2, HCCS LMNA 3101/4885CNR2 1249/4885CNR1 1207/4885
US-20060189606-A1 Methods for treating hepatitis C HAVCR2, EIF2AK2, MAVS LMNA 1012/4885CNR2 2462/4885CNR1 1791/4885
US-20070299069-A1 Methods for treating hepatitis C HAVCR2, EIF2AK2, MAVS LMNA 1012/4885CNR2 2462/4885CNR1 1791/4885
US-20060223863-A1 Methods for treating Hepatitis C OAT, HAVCR2, HCCS LMNA 3101/4885CNR2 1249/4885CNR1 1207/4885
US-20120027721-A1 HCV Inhibitor and Therapeutic Agent Combinations HAVCR2, SERPINB1, ENPEP LMNA 4367/4885CNR2 2784/4885CNR1 2056/4885

“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.