SCHEMBL579200

SCHEMBL579200

COc1ccc2c(C#N)cn(C3CCC3)c2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XDH P47989 2/20 0.41
MEN1 O00255 4/20 0.40
MAPK1 P28482 4/20 0.40
KMT2A Q03164 4/20 0.40
MAPT P10636 3/20 0.40
TDP1 Q9NUW8 3/20 0.40
KDM4E B2RXH2 3/20 0.40
L3MBTL1 Q9Y468 3/20 0.40
HTT P42858 2/20 0.40
PABPC1 P11940 2/20 0.40
LMNA P02545 1/20 0.40
CASP3 P42574 1/20 0.40
NCOA1 Q15788 1/20 0.40
SENP6 Q9GZR1 1/20 0.40
NCOA3 Q9Y6Q9 1/20 0.40
MPI P34949 1/20 0.40
NOS2 P35228 1/20 0.39
CASP1 P29466 3/20 0.38
CASP7 P55210 3/20 0.38
ALOX15 P16050 2/20 0.38

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
SCHEMBL981858 0.95 MEN1 (0.42) XDHMEN1MAPK1KMT2AMAPT
SCHEMBL980438 0.86 XDH (0.41) XDH
SCHEMBL579116 0.84 XDH (0.39) XDH
SCHEMBL27757234 0.83 HRH3 (0.46) XDHKDM4EALDH1A1SMN1; SMN2
SCHEMBL12107218 0.82 XDH (0.43) XDH
SCHEMBL2885756 0.81 HRH3 (0.41) XDH
SCHEMBL579098 0.80 XDH (0.43) XDHMEN1KMT2AKDM4EHTT
SCHEMBL579314 0.80 XDH (0.43) XDHMAPT
SCHEMBL2877901 0.80 XDH (0.46) XDH
SCHEMBL579383 0.78 XDH (0.42) XDHMAPT

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-8735414-B2 Indole derivatives and methods for antiviral treatment PTC THERAPEUTICS, INC. (US) 2014-05-27 US disclosed
US-8735414-B2 Indole derivatives and methods for antiviral treatment PTC THERAPEUTICS, INC. (US) 2014-05-27 US disclosed
US-20120184574-A1 INDOLE DERIVATIVES AND METHODS FOR ANTIVIRAL TREATMENT PTC THERAPEUTICS, INC. (US) 2012-07-19 US disclosed
US-20120184574-A1 INDOLE DERIVATIVES AND METHODS FOR ANTIVIRAL TREATMENT PTC THERAPEUTICS, INC. (US) 2012-07-19 US disclosed
US-20120184574-A1 INDOLE DERIVATIVES AND METHODS FOR ANTIVIRAL TREATMENT PTC THERAPEUTICS, INC. (US) 2012-07-19 US disclosed
EP-2417122-A1 INDOLE DERIVATIVES AND METHODS FOR ANTIVIRAL TREATMENT PTC Therapeutics, Inc. (US) 2012-02-15 EP disclosed
US-20100305100-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2010-12-02 US disclosed
US-20100305100-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2010-12-02 US disclosed
WO-2010117932-A1 INDOLE DERIVATIVES AND METHODS FOR ANTIVIRAL TREATMENT SCHERING CORPORATION (US) 2010-10-14 WO disclosed
WO-2010117932-A1 INDOLE DERIVATIVES AND METHODS FOR ANTIVIRAL TREATMENT SCHERING CORPORATION (US) 2010-10-14 WO disclosed
US-7772271-B2 Methods for treating hepatitis C PTC THERAPEUTICS, INC. (US) 2010-08-10 US disclosed
US-7772271-B2 Methods for treating hepatitis C PTC THERAPEUTICS, INC. (US) 2010-08-10 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
WO-2007084413-A2 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2007-07-26 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 (3 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 XDH 1663/4885MEN1 4800/4885MAPK1 4248/4885
US-20120184574-A1 INDOLE DERIVATIVES AND METHODS FOR ANTIVIRAL TREATMENT IDO1, IRF3, MAVS XDH 797/4885MEN1 4766/4885MAPK1 4287/4885
US-20100305100-A1 METHODS FOR TREATING HEPATITIS C HAVCR2, EIF2AK2, MAVS XDH 1663/4885MEN1 4800/4885MAPK1 4248/4885

“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.