SCHEMBL831908

SCHEMBL831908

Cc1ccc2c(c1)c(-c1ccccc1F)c(C(=O)NS(C)(=O)=O)n2Cc1ccccc1F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
MAPT P10636 2/20 0.43
SCN9A Q15858 2/20 0.42
SCN2B O60939 1/20 0.42
SCN1B Q07699 1/20 0.42
SCN5A Q14524 1/20 0.42
PPARG P37231 1/20 0.41
ALDH1A1 P00352 4/20 0.40
ECE1 P42892 1/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MGAM O43451 3/20 0.39
GAA P10253 3/20 0.39
SI P14410 3/20 0.39
MGAM2 Q2M2H8 3/20 0.39
USP2 O75604 1/20 0.38
THRB P10828 1/20 0.38
DHODH Q02127 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
SCHEMBL831577 0.89 CYP2C8 (0.46) KMT2AMEN1MAPTSCN9ASCN2B
SCHEMBL832302 0.86 PPARG (0.40) KMT2AMEN1MAPTPPARGECE1
SCHEMBL831414 0.85 PPARG (0.42) KMT2AMEN1MAPTPPARGALDH1A1
SCHEMBL829830 0.84 KMT2A (0.54) KMT2AMEN1MAPTALDH1A1PTGDR2
SCHEMBL12665803 0.84 MAPT (0.47) KMT2AMEN1MAPTALDH1A1PTGDR2
SCHEMBL831669 0.83 MAPT (0.42) KMT2AMEN1MAPTSCN9ASCN2B
SCHEMBL8858283 0.82 KMT2A (0.46) KMT2AMEN1MAPTALDH1A1PTGDR2
SCHEMBL833144 0.81 CYP2C8 (0.45) KMT2AMEN1MAPTALDH1A1ECE1
SCHEMBL831658 0.81 PPARG (0.48) MAPTPPARGDHODH
SCHEMBL831903 0.81 CYP2C8 (0.45) KMT2AMEN1MAPTSCN9ASCN2B

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 KMT2A 321/4885MEN1 2084/4885MAPT 1047/4885

“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.