SCHEMBL833377

SCHEMBL833377

CCc1ccc2c(c1)c(-c1ccc(C)nc1OC)c(C(=O)O)n2Cc1ccccc1F

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
YWHAH Q04917 1/20 0.43
EDNRB P24530 6/20 0.43
TP53 P04637 5/20 0.41
POLB P06746 1/20 0.40
EDNRA P25101 3/20 0.40
CCR2 P41597 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
THRB P10828 1/20 0.38
CYP2C8 P10632 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
SCHEMBL832495 0.92 KMT2A (0.53) KMT2AMEN1YWHAHEDNRBTP53
SCHEMBL8860038 0.88 PPARG (0.44) KMT2AMEN1YWHAHEDNRBTP53
SCHEMBL829604 0.87 KMT2A (0.43) KMT2AMEN1YWHAHEDNRBTP53
SCHEMBL833040 0.83 EDNRB (0.42) KMT2AMEN1YWHAHEDNRBTP53
SCHEMBL830573 0.80 KMT2A (0.51) KMT2AMEN1YWHAHEDNRBTP53
SCHEMBL12665499 0.80 KMT2A (0.45) KMT2AMEN1YWHAHEDNRBTP53
SCHEMBL830167 0.79 EDNRB (0.42) EDNRBTP53POLBEDNRA
SCHEMBL8859926 0.78 KMT2A (0.43) KMT2AMEN1YWHAHEDNRBTP53
SCHEMBL830093 0.78 KMT2A (0.45) KMT2AMEN1YWHAHEDNRBTP53
SCHEMBL14802286 0.77 KMT2A (0.40) KMT2AMEN1YWHAHTP53POLB

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-2009032123-A2 TETRACYCLIC INDOLE DERIVATIVES AND THEIR USE FOR TREATING OR PREVENTING 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 (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 KMT2A 1322/4885MEN1 1177/4885YWHAH 280/4885
US-20110033417-A1 2,3-SUBSTITUTED INDOLE DERIVATIVES FOR TREATING VIRAL INFECTIONS IDO2, IDO1, IRF3 KMT2A 321/4885MEN1 2084/4885YWHAH 101/4885
US-20110104110-A1 SUBSTITUTED INDOLE DERIVATIVES AND METHODS OF USE THEREOF IDO1, IDO2, INMT KMT2A 537/4885MEN1 1783/4885YWHAH 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.