SCHEMBL980949

SCHEMBL980949

COc1ccc2c(C#N)cn(C(=O)OC(C)(C)C)c2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
PABPC1 P11940 1/20 0.39
MAPK1 P28482 1/20 0.39
CASP3 P42574 1/20 0.39
HTT P42858 1/20 0.39
NCOA1 Q15788 1/20 0.39
SENP6 Q9GZR1 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
NCOA3 Q9Y6Q9 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HTR6 P50406 1/20 0.38
DYRK1A Q13627 1/20 0.38
POLB P06746 1/20 0.38
PDE10A Q9Y233 1/20 0.38
AKR1C3 P42330 1/20 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
SCHEMBL29354266 0.83 L3MBTL1 (0.44) L3MBTL1HTR6DYRK1APDE10AAKR1C3
SCHEMBL15778086 0.83 L3MBTL1 (0.44) L3MBTL1HTR6DYRK1APDE10AAKR1C3
SCHEMBL29123506 0.83 L3MBTL1 (0.42) KDM4EMAPTHTTL3MBTL1HTR6
SCHEMBL29162329 0.82 HTR6 (0.40) KDM4EMAPTL3MBTL1HTR6DYRK1A
SCHEMBL31370660 0.82 HTR6 (0.40) KDM4EMAPTL3MBTL1HTR6DYRK1A
SCHEMBL16727069 0.81 L3MBTL1 (0.46) L3MBTL1HTR6DYRK1APDE10AAKR1C3
SCHEMBL31186267 0.80 L3MBTL1 (0.55) MEN1KMT2AMAPTL3MBTL1HTR6
SCHEMBL15902037 0.80 ALDH1A1 (0.58) MEN1KMT2AKDM4ELMNAMAPT
SCHEMBL29443970 0.80 ALDH1A1 (0.58) MEN1KMT2AKDM4ELMNAMAPT
SCHEMBL16727065 0.80 L3MBTL1 (0.50) L3MBTL1HTR6DYRK1APDE10AAKR1C3

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 44 patents — showing the first 20. 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-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-8013006-B2 Methods for treating hepatitis C PTC THERAPEUTICS, INC. (US) 2011-09-06 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-7973069-B2 Methods for treating hepatitis C PTC THERAPEUTICS, INC. (US) 2011-07-05 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
WO-2007084413-A2 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2007-07-26 WO disclosed
WO-2007084413-A2 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2007-07-26 WO disclosed
WO-2007084435-A2 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2007-07-26 WO disclosed
WO-2007084435-A2 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2007-07-26 WO 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 (5 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 4825/4885KMT2A 4617/4885KDM4E 3422/4885
US-20120009142-A1 METHODS FOR TREATING HEPATITIS C OAT, HAVCR2, HCCS MEN1 4815/4885KMT2A 3974/4885KDM4E 3703/4885
US-20060189606-A1 Methods for treating hepatitis C HAVCR2, EIF2AK2, MAVS MEN1 4800/4885KMT2A 4464/4885KDM4E 4020/4885
US-20070299069-A1 Methods for treating hepatitis C HAVCR2, EIF2AK2, MAVS MEN1 4800/4885KMT2A 4464/4885KDM4E 4020/4885
US-20060223863-A1 Methods for treating Hepatitis C OAT, HAVCR2, HCCS MEN1 4815/4885KMT2A 3974/4885KDM4E 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.