SCHEMBL832215

SCHEMBL832215

COc1ncccc1-c1c(C(=O)OC(C)(C)C)n(Cc2ccccc2F)c2ccc(C)cc12

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
MGAM O43451 4/20 0.38
GAA P10253 4/20 0.38
SI P14410 4/20 0.38
MGAM2 Q2M2H8 4/20 0.38
PTGDR2 Q9Y5Y4 4/20 0.38
MAPT P10636 3/20 0.38
TP53 P04637 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
GPR6 P46095 1/20 0.36
KCNH2 Q12809 1/20 0.36
ALDH1A1 P00352 3/20 0.36
KDM4E B2RXH2 1/20 0.36
THRB P10828 1/20 0.35
LMNA P02545 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL832602 0.94 PTGDR2 (0.39) KMT2AMEN1MGAMGAASI
SCHEMBL387902 0.90 GRIN1 (0.41) KMT2AMEN1PTGDR2TP53GPR6
SCHEMBL829047 0.90 KMT2A (0.52) KMT2AMEN1MGAMGAASI
SCHEMBL830093 0.89 KMT2A (0.45) KMT2AMEN1MGAMGAASI
SCHEMBL6123087 0.88 KMT2A (0.40) KMT2AMEN1MGAMGAASI
SCHEMBL862331 0.85 GRIN1 (0.41) PTGDR2KDM4E
SCHEMBL862510 0.83 KMT2A (0.40) KMT2AMEN1MGAMGAASI
SCHEMBL830573 0.82 KMT2A (0.51) KMT2AMEN1GAAMAPTTP53
SCHEMBL829616 0.82 KMT2A (0.50) KMT2AMEN1GAAMAPTTP53
SCHEMBL14802290 0.80 LMNA (0.39) KMT2AMEN1TP53GPR6ALDH1A1

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 4 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-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-20110033417-A1 2,3-SUBSTITUTED INDOLE DERIVATIVES FOR TREATING VIRAL INFECTIONS MERCK SHARP & DOHME CORP. 2011-02-10 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 (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 1177/4885MGAM 3371/4885
US-20110033417-A1 2,3-SUBSTITUTED INDOLE DERIVATIVES FOR TREATING VIRAL INFECTIONS IDO2, IDO1, IRF3 KMT2A 321/4885MEN1 2084/4885MGAM 3498/4885
US-20110104110-A1 SUBSTITUTED INDOLE DERIVATIVES AND METHODS OF USE THEREOF IDO1, IDO2, INMT KMT2A 537/4885MEN1 1783/4885MGAM 4083/4885

“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.