SCHEMBL10096348

SCHEMBL10096348

CCCn1c(-c2ccc(NC(=O)OC)cc2)c(C#N)c2ccc(OCC)cc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.41
POLB P06746 2/20 0.41
KMT2A Q03164 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPK1 P28482 1/20 0.41
DHODH Q02127 1/20 0.38
PFKFB2 O60825 2/20 0.37
NSD2 O96028 2/20 0.37
PFKFB1 P16118 2/20 0.37
PFKFB3 Q16875 2/20 0.37
AS3MT Q9HBK9 2/20 0.37
DOT1L Q8TEK3 1/20 0.37
LMNA P02545 3/20 0.37
MAPT P10636 3/20 0.37
TTK P33981 1/20 0.37
MAPK8 P45983 1/20 0.37
ADORA2A P29274 3/20 0.37
ADORA2B P29275 3/20 0.37
TP53 P04637 2/20 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
SCHEMBL10096339 0.94 ALDH1A1 (0.44) MEN1POLBKMT2AL3MBTL1ALDH1A1
SCHEMBL10095979 0.92 ADORA2B (0.40) MEN1KMT2AL3MBTL1ALDH1A1MAPK1
SCHEMBL10096332 0.92 ALDH1A1 (0.41) MEN1POLBKMT2AL3MBTL1ALDH1A1
SCHEMBL10096351 0.92 HPGD (0.40) MEN1POLBKMT2AL3MBTL1ALDH1A1
SCHEMBL10096338 0.89 L3MBTL1 (0.40) MEN1POLBKMT2AL3MBTL1ALDH1A1
SCHEMBL10096379 0.89 KDR (0.41) MEN1POLBKMT2AL3MBTL1ALDH1A1
SCHEMBL10096392 0.88 MAPT (0.43) MEN1POLBKMT2AL3MBTL1ALDH1A1
SCHEMBL10095796 0.88 MTNR1B (0.44) MEN1POLBKMT2AL3MBTL1ALDH1A1
SCHEMBL10096374 0.87 ALDH1A1 (0.43) MEN1POLBKMT2AL3MBTL1ALDH1A1
SCHEMBL10096381 0.87 MAPT (0.46) KMT2AALDH1A1LMNAMAPTTP53

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-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-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-7973069-B2 Methods for treating hepatitis C PTC THERAPEUTICS, INC. (US) 2011-07-05 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-7868037-B2 Methods for treating hepatitis C PTC THERAPEUTICS, INC. (US) 2011-01-11 US disclosed
US-20100292187-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2010-11-18 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-7781478-B2 Methods for treating hepatitis C PTC THERAPEUTICS, INC. (US) 2010-08-24 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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-20110268698-A1 METHODS FOR TREATING HEPATITIS C HAVCR2, LIPC, HCCS MEN1 4825/4885POLB 1973/4885KMT2A 4617/4885
US-20100292187-A1 METHODS FOR TREATING HEPATITIS C HAVCR2, EIF2AK2, MAVS MEN1 4800/4885POLB 2591/4885KMT2A 4464/4885
US-20070299069-A1 Methods for treating hepatitis C HAVCR2, EIF2AK2, MAVS MEN1 4800/4885POLB 2591/4885KMT2A 4464/4885
US-20120027721-A1 HCV Inhibitor and Therapeutic Agent Combinations HAVCR2, SERPINB1, ENPEP MEN1 4860/4885POLB 2388/4885KMT2A 4114/4885

“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.