SCHEMBL833040

SCHEMBL833040

CCc1ccc2c(c1)c(-c1cc(Cl)cnc1OC)c(C(=O)O)n2Cc1ccccc1F

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 7/20 0.42
KMT2A Q03164 2/20 0.41
YWHAH Q04917 1/20 0.40
EDNRA P25101 3/20 0.40
MEN1 O00255 1/20 0.40
TP53 P04637 3/20 0.40
CCR2 P41597 1/20 0.39
MAPT P10636 1/20 0.38
CYP2C8 P10632 1/20 0.37
SERPINE1 P05121 1/20 0.37
FFAR4 Q5NUL3 1/20 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
SCHEMBL832890 0.92 KMT2A (0.49) EDNRBKMT2AMEN1TP53MAPT
SCHEMBL8859918 0.92 EDNRB (0.39) EDNRBKMT2AYWHAHEDNRAMEN1
SCHEMBL13906459 0.90 KMT2A (0.43) EDNRBKMT2AYWHAHEDNRAMEN1
SCHEMBL8859926 0.89 KMT2A (0.43) EDNRBKMT2AYWHAHEDNRAMEN1
SCHEMBL829604 0.87 KMT2A (0.43) EDNRBKMT2AYWHAHEDNRAMEN1
SCHEMBL8858776 0.85 SCN9A (0.40) EDNRBKMT2AMEN1MAPT
SCHEMBL13905138 0.84 KMT2A (0.55) KMT2AMEN1TP53MAPT
SCHEMBL833377 0.83 KMT2A (0.45) EDNRBKMT2AYWHAHEDNRAMEN1
SCHEMBL13905252 0.81 KMT2A (0.50) EDNRBKMT2AEDNRAMEN1TP53
SCHEMBL830167 0.81 EDNRB (0.42) EDNRBEDNRATP53FFAR4

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-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
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-20110104109-A1 TETRACYCLIC INDOLE DERIVATIVES AND THEIR USE FOR TREATING OR PREVENTING VIRAL INFECTIONS MERCK SHARP & DOHME CORP. 2011-05-05 US disclosed
US-20110104109-A1 TETRACYCLIC INDOLE DERIVATIVES AND THEIR USE FOR TREATING OR PREVENTING VIRAL INFECTIONS MERCK SHARP & DOHME CORP. 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
WO-2009032124-A1 SUBSTITUTED INDOLE DERIVATIVES AND METHODS OF USE THEREOF 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 (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-20110104109-A1 TETRACYCLIC INDOLE DERIVATIVES AND THEIR USE FOR TREATING OR PREVENTING VIRAL INFECTIONS IDO1, IDO2, ZC3HAV1 EDNRB 1647/4885KMT2A 1322/4885YWHAH 280/4885
US-20110033417-A1 2,3-SUBSTITUTED INDOLE DERIVATIVES FOR TREATING VIRAL INFECTIONS IDO2, IDO1, IRF3 EDNRB 1094/4885KMT2A 321/4885YWHAH 101/4885
US-20110104110-A1 SUBSTITUTED INDOLE DERIVATIVES AND METHODS OF USE THEREOF IDO1, IDO2, INMT EDNRB 652/4885KMT2A 537/4885YWHAH 126/4885

“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.