SCHEMBL862469

SCHEMBL862469

CS(=O)(=O)NC(=O)c1c(-c2ccc[nH]c2=O)c2cc(Br)ccc2n1Cc1ccnc(N)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.36
CYP2C8 P10632 1/20 0.35
HDAC1 Q13547 3/20 0.35
HDAC6 Q9UBN7 3/20 0.35
HDAC8 Q9BY41 2/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.34
MAPK8 P45983 3/20 0.33
KMT2A Q03164 5/20 0.33
MEN1 O00255 2/20 0.33
F11 P03951 1/20 0.33
PLA2G2A P14555 1/20 0.33
MCL1 Q07820 1/20 0.32
MAPK9 P45984 1/20 0.32
MAPK10 P53779 1/20 0.32
DYRK1A Q13627 1/20 0.32
HDAC3 O15379 1/20 0.32
HDAC4 P56524 1/20 0.32
HDAC7 Q8WUI4 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC10 Q969S8 1/20 0.32

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
SCHEMBL862306 0.92 CYP2C8 (0.34) PPARGCYP2C8HDAC1HDAC6HDAC8
SCHEMBL10260727 0.91 PPARG (0.38) PPARGCYP2C8PTGDR2KMT2AMEN1
SCHEMBL831545 0.91 KMT2A (0.40) PPARGCYP2C8PTGDR2KMT2AMEN1
SCHEMBL10255430 0.90 PPARG (0.38) PPARGCYP2C8HDAC1HDAC6HDAC8
SCHEMBL862475 0.90 PPARG (0.36) PPARGCYP2C8PTGDR2KMT2AMEN1
SCHEMBL10257730 0.89 PPARG (0.35) PPARGCYP2C8PTGDR2KMT2AMEN1
SCHEMBL861876 0.89 PPARG (0.35) PPARGCYP2C8PTGDR2KMT2AMEN1
SCHEMBL831409 0.88 CYP2C8 (0.40) PPARGCYP2C8KMT2AMEN1F11
SCHEMBL832300 0.88 PPARG (0.45) PPARGMAPK8MCL1MAPK9MAPK10
SCHEMBL862413 0.88 PPARG (0.43) PPARGCYP2C8KMT2AMEN1MCL1

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 PPARG 4093/4885CYP2C8 847/4885HDAC1 1123/4885

“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.