SCHEMBL388312

SCHEMBL388312

CCOC(=O)c1c(-c2cccnc2OC)c2cc(Cl)ccc2n1CC1CCCN(C(=O)OC(C)(C)C)C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FNTA P49354 3/20 0.44
FNTB P49356 3/20 0.44
FEN1 P39748 3/20 0.41
ALOX5AP P20292 2/20 0.41
TP53 P04637 1/20 0.39
POLB P06746 1/20 0.39
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
P2RX3 P56373 1/20 0.37
P2RX2 Q9UBL9 1/20 0.37
SCN9A Q15858 1/20 0.36
JAK2 O60674 1/20 0.36
JAK3 P52333 1/20 0.36
PTK2 Q05397 1/20 0.36
IRAK1 P51617 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
SCHEMBL829208 0.92 FNTA (0.46) FNTAFNTBFEN1ALOX5APP2RX3
SCHEMBL829149 0.87 SCN9A (0.49) FNTAFNTBFEN1ALOX5APP2RX3
SCHEMBL832178 0.77 MAPK8 (0.39) KRAS
SCHEMBL831838 0.75 PDE4A (0.42) ALDH1A1LMNAGAAKMT2ANPSR1
SCHEMBL829937 0.74 SCN9A (0.38) SCN9AKRAS
SCHEMBL831263 0.74 MKNK2 (0.46) ALDH1A1NPSR1P2RX3CYP2C9
SCHEMBL388313 0.74 PCSK9 (0.37) TP53
SCHEMBL832909 0.67 PDE4A (0.43) LMNAGAAKMT2ANPSR1CYP2C9
SCHEMBL7366249 0.67 CHEK2 (0.58) FEN1ALOX5APNPSR1SCN9ACHEK2
SCHEMBL829209 0.67 ACP1 (0.34) FNTAFNTBFEN1ALOX5APTP53

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8614229-B2 Substituted indole derivatives and methods of use thereof MERCK SHARP & DOHME CORP. (US) 2013-12-24 US disclosed
EP-2197842-B1 2, 3-SUBSTITUTED INDOLE DERIVATIVES FOR TREATING VIRAL INFECTIONS SCHERING CORP (US) 2012-05-23 EP disclosed
US-8143305-B2 2,3-substituted indole derivatives for treating viral infections SCHERING CORPORATION (US) 2012-03-27 US disclosed
US-8143305-B2 2,3-substituted indole derivatives for treating viral infections SCHERING CORPORATION (US) 2012-03-27 US disclosed
EP-2408761-A1 SUBSTITUTED INDOLE DERIVATIVES AND METHODS OF USE THEREOF Schering Corporation (US) 2012-01-25 EP 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
EP-2197842-A1 2, 3-SUBSTITUTED INDOLE DERIVATIVES FOR TREATING VIRAL INFECTIONS SCHERING CORPORATION (US) 2010-06-23 EP disclosed
WO-2009032124-A1 SUBSTITUTED INDOLE DERIVATIVES AND METHODS OF USE THEREOF SCHERING CORPORATION (US) 2009-03-12 WO disclosed
WO-2009032116-A1 2, 3-SUBSTITUTED INDOLE DERIVATIVES FOR TREATING VIRAL INFECTIONS SCHERING CORPORATION (US) 2009-03-12 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 (2 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-20110033417-A1 2,3-SUBSTITUTED INDOLE DERIVATIVES FOR TREATING VIRAL INFECTIONS IDO2, IDO1, IRF3 FNTA 3144/4885FNTB 4719/4885FEN1 2381/4885
US-20110104110-A1 SUBSTITUTED INDOLE DERIVATIVES AND METHODS OF USE THEREOF IDO1, IDO2, INMT FNTA 2632/4885FNTB 4387/4885FEN1 1469/4885

“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.