SCHEMBL831655

SCHEMBL831655

CCS(=O)(=O)NC(=O)c1c(-c2ccc[nH]c2=O)c2cc(Cl)ccc2n1Cc1ccccc1F

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP2C8 P10632 1/20 0.46
KMT2A Q03164 4/20 0.42
PTGDR2 Q9Y5Y4 3/20 0.40
LMNA P02545 2/20 0.38
MEN1 O00255 1/20 0.38
MAPT P10636 5/20 0.38
POLB P06746 1/20 0.36
BCL2 P10415 1/20 0.36
BAK1 Q16611 1/20 0.36
TP53 P04637 1/20 0.36
KRAS P01116 1/20 0.36
PARG Q86W56 1/20 0.36

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
SCHEMBL861967 0.93 CYP2C8 (0.44) CYP2C8KMT2APTGDR2LMNAMEN1
SCHEMBL831554 0.93 CYP2C8 (0.47) CYP2C8KMT2APTGDR2LMNAMEN1
SCHEMBL833144 0.91 CYP2C8 (0.45) CYP2C8KMT2APTGDR2LMNAMEN1
SCHEMBL831595 0.91 CYP2C8 (0.43) CYP2C8KMT2APTGDR2LMNAMAPT
SCHEMBL830899 0.90 CYP2C8 (0.45) CYP2C8KMT2APTGDR2LMNAMEN1
SCHEMBL831530 0.90 CYP2C8 (0.43) CYP2C8KMT2APTGDR2LMNAMEN1
SCHEMBL832360 0.90 CYP2C8 (0.43) CYP2C8KMT2APTGDR2LMNAMEN1
SCHEMBL832601 0.90 CYP2C8 (0.43) CYP2C8KMT2APTGDR2LMNAMEN1
SCHEMBL832763 0.89 CYP2C8 (0.42) CYP2C8KMT2APTGDR2LMNAMAPT
SCHEMBL831782 0.89 CYP2C8 (0.42) CYP2C8KMT2APTGDR2LMNAMEN1

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 CYP2C8 847/4885KMT2A 321/4885PTGDR2 1609/4885

“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.