SCHEMBL862534

SCHEMBL862534

CCS(=O)(=O)NC(=O)c1c(-c2cccnc2OC)c2cc(Br)ccc2n1Cc1ccccc1F

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
KRAS P01116 1/20 0.37
TP53 P04637 1/20 0.37
GPR6 P46095 1/20 0.36
YWHAH Q04917 1/20 0.35
MAPK8 P45983 1/20 0.35
PTGDR2 Q9Y5Y4 2/20 0.35
PDE4B Q07343 1/20 0.35
LRRK2 Q5S007 1/20 0.34
GRIN1 Q05586 1/20 0.34
GRIN2B Q13224 1/20 0.34
PPARG P37231 1/20 0.34
SLC22A12 Q96S37 1/20 0.34
ADAM17 P78536 1/20 0.34
ECE1 P42892 1/20 0.33
CTSA P10619 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL862510 0.91 KMT2A (0.40) LMNAKMT2AMEN1TP53GPR6
SCHEMBL829913 0.89 PPARG (0.42) LMNAKMT2AMEN1TP53GPR6
SCHEMBL829827 0.87 KMT2A (0.44) LMNAKMT2AMEN1KRASTP53
SCHEMBL829616 0.85 KMT2A (0.50) LMNAKMT2AMEN1KRASTP53
SCHEMBL832360 0.82 CYP2C8 (0.43) LMNAKMT2AMEN1PTGDR2GRIN1
SCHEMBL14802293 0.80 PPARG (0.39) LMNAKMT2AMEN1TP53GPR6
SCHEMBL829588 0.79 PPARG (0.44) LMNAKMT2AMEN1TP53YWHAH
SCHEMBL829604 0.78 KMT2A (0.43) LMNAKMT2AMEN1TP53YWHAH
SCHEMBL830093 0.78 KMT2A (0.45) KMT2AMEN1TP53YWHAHPTGDR2
SCHEMBL829348 0.77 PPARG (0.42) LMNAKMT2AMEN1YWHAHPTGDR2

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 2 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-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 (1 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 LMNA 3804/4885KMT2A 321/4885MEN1 2084/4885

“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.