SCHEMBL829913

SCHEMBL829913

CCS(=O)(=O)NC(=O)c1c(-c2cccnc2OC)c2cc(C(F)(F)F)ccc2n1Cc1ccccc1F

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PPARG P37231 6/20 0.42
GRIN1 Q05586 2/20 0.41
GRIN2B Q13224 2/20 0.41
LMNA P02545 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
SCN5A Q14524 1/20 0.36
SCN9A Q15858 1/20 0.36
TP53 P04637 1/20 0.36
PTGER4 P35408 2/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.36
ECE1 P42892 1/20 0.36
KDM4E B2RXH2 1/20 0.35
GPR6 P46095 1/20 0.35
GPBAR1 Q8TDU6 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
SCHEMBL862510 0.90 KMT2A (0.40) LMNAMEN1KMT2ATP53PTGDR2
SCHEMBL862534 0.89 LMNA (0.38) PPARGGRIN1GRIN2BLMNAMEN1
SCHEMBL830067 0.87 GRIN1 (0.43) GRIN1GRIN2BMEN1KMT2ASCN5A
SCHEMBL3693959 0.86 GRIN1 (0.42) GRIN1GRIN2BMEN1KMT2ASCN5A
SCHEMBL387902 0.84 GRIN1 (0.41) GRIN1GRIN2BMEN1KMT2ASCN5A
SCHEMBL8860029 0.84 GRIN1 (0.41) GRIN1GRIN2BMEN1KMT2APTGDR2
SCHEMBL830972 0.82 CYP2C8 (0.42) PPARGGRIN1GRIN2BLMNAMEN1
SCHEMBL14802293 0.79 PPARG (0.39) PPARGLMNAMEN1KMT2ASCN5A
SCHEMBL862331 0.78 GRIN1 (0.41) PPARGGRIN1GRIN2BSCN5ASCN9A
SCHEMBL829588 0.78 PPARG (0.44) PPARGLMNAMEN1KMT2ASCN9A

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-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
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 4093/4885GRIN1 2446/4885GRIN2B 1641/4885

“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.