SCHEMBL10095403

SCHEMBL10095403

CCn1c(C#Cc2cccc(OC)c2)c(C#N)c2ccc(C(F)(F)F)cc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 5/20 0.45
L3MBTL1 Q9Y468 3/20 0.39
TDP1 Q9NUW8 2/20 0.39
KCNA5 P22460 1/20 0.38
KCNH2 Q12809 1/20 0.38
S1PR1 P21453 1/20 0.37
MAPT P10636 3/20 0.36
KDM4E B2RXH2 3/20 0.36
LMNA P02545 2/20 0.36
HTT P42858 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
PABPC1 P11940 1/20 0.36
MAPK1 P28482 1/20 0.36
CASP3 P42574 1/20 0.36
NCOA1 Q15788 1/20 0.36
SENP6 Q9GZR1 1/20 0.36
NCOA3 Q9Y6Q9 1/20 0.36
CHRNB2 P17787 1/20 0.36
CHRNA4 P43681 1/20 0.36

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
SCHEMBL10095414 0.89 S1PR1 (0.36) L3MBTL1TDP1KCNA5KCNH2S1PR1
SCHEMBL10095325 0.89 TDP1 (0.46) GRM5L3MBTL1TDP1MAPTKDM4E
SCHEMBL10095368 0.87 KDM4E (0.41) L3MBTL1TDP1KCNA5KCNH2S1PR1
SCHEMBL13151712 0.86 GRM5 (0.46) GRM5L3MBTL1TDP1KCNA5KCNH2
SCHEMBL10095413 0.86 S1PR1 (0.38) GRM5L3MBTL1S1PR1MAPTKDM4E
SCHEMBL10095402 0.86 GRM5 (0.43) GRM5KCNH2S1PR1
SCHEMBL10095365 0.83 MAPT (0.43) GRM5L3MBTL1TDP1KCNA5KCNH2
SCHEMBL10095363 0.82 TDP1 (0.44) L3MBTL1TDP1MAPTKDM4ELMNA
SCHEMBL10095392 0.81 S1PR1 (0.38) GRM5S1PR1KDM4EALDH1A1
SCHEMBL10095324 0.81 L3MBTL1 (0.50) L3MBTL1TDP1KCNA5KCNH2MAPT

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 9 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-20120009142-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2012-01-12 US disclosed
US-8013006-B2 Methods for treating hepatitis C PTC THERAPEUTICS, INC. (US) 2011-09-06 US disclosed
US-7868037-B2 Methods for treating hepatitis C PTC THERAPEUTICS, INC. (US) 2011-01-11 US disclosed
WO-2010118009-A1 HCV INHIBITOR AND THERAPEUTIC AGENT COMBINATIONS PTC THERAPEUTICS, INC. (US) 2010-10-14 WO disclosed
US-20080096928-A9 Indole compounds that modify translational control of Hepatitis C virus PTC THERAPEUTICS, INC. 2008-04-24 US disclosed
US-20080096928-A9 Indole compounds that modify translational control of Hepatitis C virus PTC THERAPEUTICS, INC. 2008-04-24 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 (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-20080096928-A9 Indole compounds that modify translational control of Hepatitis C virus EIF2AK2, INMT, IDO1 GRM5 2945/4885L3MBTL1 938/4885TDP1 3641/4885
US-20120009142-A1 METHODS FOR TREATING HEPATITIS C OAT, HAVCR2, HCCS GRM5 3175/4885L3MBTL1 2809/4885TDP1 3708/4885
US-20120027721-A1 HCV Inhibitor and Therapeutic Agent Combinations HAVCR2, SERPINB1, ENPEP GRM5 3922/4885L3MBTL1 3270/4885TDP1 3821/4885

“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.