SCHEMBL981835

SCHEMBL981835

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.37
CNR1 P21554 1/20 0.37
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
PABPC1 P11940 1/20 0.35
MAPK1 P28482 1/20 0.35
CASP3 P42574 1/20 0.35
HTT P42858 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
GRM2 Q14416 1/20 0.34
ESR1 P03372 2/20 0.33
PLA2G2A P14555 1/20 0.33
PTGER4 P35408 1/20 0.33

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
SCHEMBL981834 0.90 LMNA (0.39) CNR2CNR1KDM4EMEN1LMNA
SCHEMBL981797 0.79 ESR1 (0.33) KDM4EMAPK1HTTESR1
SCHEMBL10095826 0.79 NSD2 (0.32) LMNAESR1NSD2DOT1LAS3MT
SCHEMBL981767 0.79 KDM4E (0.43) KDM4EMEN1LMNAMAPTPABPC1
SCHEMBL10193509 0.79 PDE1C (0.37) CNR1
SCHEMBL10096278 0.78 LMNA (0.38) KDM4EMEN1LMNAMAPTPABPC1
SCHEMBL14466447 0.78 ESR1 (0.36) KDM4EMEN1LMNAMAPTHTT
SCHEMBL10095819 0.77 PDE5A (0.39) CNR2CNR1KDM4EMEN1LMNA
SCHEMBL13152817 0.77 LMNA (0.41) CNR2CNR1KDM4ELMNAMAPK1
SCHEMBL10095879 0.77 LMNA (0.37) KDM4EMEN1LMNAMAPTPABPC1

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-8013006-B2 Methods for treating hepatitis C PTC THERAPEUTICS, INC. (US) 2011-09-06 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-20100305100-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2010-12-02 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-7772271-B2 Methods for treating hepatitis C PTC THERAPEUTICS, INC. (US) 2010-08-10 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-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 (9 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 CNR2 821/4885CNR1 756/4885KDM4E 433/4885
US-20070299068-A1 Methods for treating hepatitis C HAVCR2, EIF2AK2, MAVS CNR2 2462/4885CNR1 1791/4885KDM4E 4020/4885
US-20110268698-A1 METHODS FOR TREATING HEPATITIS C HAVCR2, LIPC, HCCS CNR2 1233/4885CNR1 992/4885KDM4E 3422/4885
US-20120009142-A1 METHODS FOR TREATING HEPATITIS C OAT, HAVCR2, HCCS CNR2 1249/4885CNR1 1207/4885KDM4E 3703/4885
US-20100292187-A1 METHODS FOR TREATING HEPATITIS C HAVCR2, EIF2AK2, MAVS CNR2 2462/4885CNR1 1791/4885KDM4E 4020/4885
US-20100305100-A1 METHODS FOR TREATING HEPATITIS C HAVCR2, EIF2AK2, MAVS CNR2 2462/4885CNR1 1791/4885KDM4E 4020/4885
US-20060189606-A1 Methods for treating hepatitis C HAVCR2, EIF2AK2, MAVS CNR2 2462/4885CNR1 1791/4885KDM4E 4020/4885
US-20070299069-A1 Methods for treating hepatitis C HAVCR2, EIF2AK2, MAVS CNR2 2462/4885CNR1 1791/4885KDM4E 4020/4885
US-20060223863-A1 Methods for treating Hepatitis C OAT, HAVCR2, HCCS CNR2 1249/4885CNR1 1207/4885KDM4E 3703/4885

“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.