SCHEMBL832711

SCHEMBL832711

CC(C)(C)OC(=O)n1cnc2cc(F)c(CBr)cc2c1=O

nearest known ligand 0.33

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 2/20 0.33
DPP4 P27487 1/20 0.33
GRK2 P25098 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
P2RX3 P56373 1/20 0.33
MMP13 P45452 1/20 0.33
PDE10A Q9Y233 1/20 0.33
MCL1 Q07820 1/20 0.32
DTYMK P23919 1/20 0.32
HTR6 P50406 1/20 0.32
IDO1 P14902 1/20 0.31
TDO2 P48775 1/20 0.31
IDO2 Q6ZQW0 1/20 0.31
MTNR1A P48039 1/20 0.31
MTNR1B P49286 1/20 0.31
EIF4EBP1 Q13541 1/20 0.31
GPR119 Q8TDV5 3/20 0.31
TNF P01375 1/20 0.30

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
SCHEMBL17918170 0.91 DPP4 (0.36) HDAC6DPP4GRK2L3MBTL1P2RX3
SCHEMBL10255776 0.83 KMT2A (0.34) HDAC6GRK2L3MBTL1DTYMKIDO1
SCHEMBL13210042 0.83 HDAC6 (0.32) HDAC6GRK2MCL1IDO1
SCHEMBL833262 0.81 IDO1 (0.34) DPP4L3MBTL1PDE10AIDO1TDO2
SCHEMBL12388854 0.76 HDAC6 (0.39) HDAC6GRK2MMP13MCL1TNF
SCHEMBL862165 0.75 GRM2 (0.31) DPP4IDO1TDO2IDO2
SCHEMBL833246 0.70 PDPK1 (0.46) MTNR1AMTNR1B
SCHEMBL832565 0.70 MAP2K4 (0.35) DPP4L3MBTL1HTR6MTNR1AMTNR1B
SCHEMBL1162095 0.69 L3MBTL1 (0.41) L3MBTL1PDE10AHTR6
SCHEMBL832511 0.68 RIPK1 (0.42) L3MBTL1HTR6

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2064180-B1 4,5-RING ANNULATED INDOLE DERIVATIVES FOR TREATING OR PREVENTING OF HCV AND RELATED VIRAL INFECTIONS MERCK SHARP & DOHME (US) 2016-07-13 EP disclosed
US-8901139-B2 Tricyclic indole derivatives and methods of use thereof MERCK SHARP & DOHME CORP. (US) 2014-12-02 US disclosed
US-8901139-B2 Tricyclic indole derivatives and methods of use thereof MERCK SHARP & DOHME CORP. (US) 2014-12-02 US disclosed
US-8557848-B2 4,5-ring annulated indole derivatives for treating or preventing of HCV and related viral infections MERCK SHARP & DOHME CORP. (US) 2013-10-15 US disclosed
US-8557848-B2 4,5-ring annulated indole derivatives for treating or preventing of HCV and related viral infections MERCK SHARP & DOHME CORP. (US) 2013-10-15 US disclosed
US-8546420-B2 4, 5-ring annulated indole derivatives for treating or preventing of HCV and related viral infections MERCK SHARP & DOHME CORP. (US) 2013-10-01 US disclosed
US-8546420-B2 4, 5-ring annulated indole derivatives for treating or preventing of HCV and related viral infections MERCK SHARP & DOHME CORP. (US) 2013-10-01 US disclosed
US-8404845-B2 2,3-substituted azaindole derivatives for treating viral infections MERCK SHARP & DOHME CORP. (US) 2013-03-26 US disclosed
US-8404845-B2 2,3-substituted azaindole derivatives for treating viral infections MERCK SHARP & DOHME CORP. (US) 2013-03-26 US disclosed
US-8268803-B2 5, 6-ring annulated indole derivatives and use thereof MERCK SHARP & DOHME CORP. (US) 2012-09-18 US disclosed
US-20110104110-A1 SUBSTITUTED INDOLE DERIVATIVES AND METHODS OF USE THEREOF SHERING CORPORATION 2011-05-05 US disclosed
US-20110104110-A1 SUBSTITUTED INDOLE DERIVATIVES AND METHODS OF USE THEREOF SHERING CORPORATION 2011-05-05 US disclosed
US-20110033417-A1 2,3-SUBSTITUTED INDOLE DERIVATIVES FOR TREATING VIRAL INFECTIONS MERCK SHARP & DOHME CORP. 2011-02-10 US disclosed
US-20110033417-A1 2,3-SUBSTITUTED INDOLE DERIVATIVES FOR TREATING VIRAL INFECTIONS MERCK SHARP & DOHME CORP. 2011-02-10 US disclosed
US-20100322901-A1 5, 6-RING ANNULATED INDOLE DERIVATIVES AND USE THEREOF SCHERING CORPORATION 2010-12-23 US disclosed
US-20100322901-A1 5, 6-RING ANNULATED INDOLE DERIVATIVES AND USE THEREOF SCHERING CORPORATION 2010-12-23 US disclosed
US-20100196319-A1 4, 5-RING ANNULATED INDOLE DERIVATIVES FOR TREATING OR PREVENTING OF HCV AND RELATED VIRAL INFECTIONS SCHERING CORPORATION (US) 2010-08-05 US disclosed
US-20100196319-A1 4, 5-RING ANNULATED INDOLE DERIVATIVES FOR TREATING OR PREVENTING OF HCV AND RELATED VIRAL INFECTIONS SCHERING CORPORATION (US) 2010-08-05 US disclosed
US-20100098661-A1 4,5-RING ANNULATED INDOLE DERIVATIVES FOR TREATING OR PREVENTING OF HCV AND RELATED VIRAL INFECTIONS SCHERING CORPORATION 2010-04-22 US disclosed
US-20100098661-A1 4,5-RING ANNULATED INDOLE DERIVATIVES FOR TREATING OR PREVENTING OF HCV AND RELATED VIRAL INFECTIONS SCHERING CORPORATION 2010-04-22 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 (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-20100196319-A1 4, 5-RING ANNULATED INDOLE DERIVATIVES FOR TREATING OR PREVENTING OF HCV AND RELATED VIRAL INFECTIONS ZC3HAV1, IDO1, ZC3HAV1L HDAC6 377/4885DPP4 261/4885GRK2 2509/4885
US-20110033417-A1 2,3-SUBSTITUTED INDOLE DERIVATIVES FOR TREATING VIRAL INFECTIONS IDO2, IDO1, IRF3 HDAC6 275/4885DPP4 122/4885GRK2 985/4885
US-20110104110-A1 SUBSTITUTED INDOLE DERIVATIVES AND METHODS OF USE THEREOF IDO1, IDO2, INMT HDAC6 852/4885DPP4 299/4885GRK2 2273/4885
US-20100098661-A1 4,5-RING ANNULATED INDOLE DERIVATIVES FOR TREATING OR PREVENTING OF HCV AND RELATED VIRAL INFECTIONS ZC3HAV1, IDO1, ZC3HAV1L HDAC6 340/4885DPP4 82/4885GRK2 3042/4885
US-20100322901-A1 5, 6-RING ANNULATED INDOLE DERIVATIVES AND USE THEREOF IDO1, IDO2, TPH1 HDAC6 841/4885DPP4 538/4885GRK2 2553/4885

“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.