SCHEMBL831669

SCHEMBL831669

CS(=O)(=O)NC(=O)c1c(-c2ccccc2F)c2cc(Cl)ccc2n1Cc1cc(F)ccc1F

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.42
SCN9A Q15858 4/20 0.41
PTGDR2 Q9Y5Y4 2/20 0.40
LMNA P02545 4/20 0.40
DHODH Q02127 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
PPARG P37231 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
SCN2B O60939 1/20 0.38
SCN1B Q07699 1/20 0.38
SCN5A Q14524 1/20 0.38
POLB P06746 1/20 0.37
THRB P10828 1/20 0.37

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
SCHEMBL830764 0.89 PPARG (0.48) MAPTSCN9ADHODHPPARG
SCHEMBL831268 0.88 CYP2C8 (0.45) MAPTSCN9APTGDR2PPARGMEN1
SCHEMBL831243 0.87 EDNRB (0.43) MAPTSCN9ALMNADHODHPPARG
SCHEMBL12665189 0.85 KMT2A (0.48) MAPTPTGDR2LMNASMN1; SMN2PPARG
SCHEMBL831554 0.84 CYP2C8 (0.47) MAPTPTGDR2LMNAPPARGMEN1
SCHEMBL832199 0.83 CYP2C8 (0.46) MAPTSCN9APTGDR2LMNAPPARG
SCHEMBL831908 0.83 KMT2A (0.43) MAPTSCN9APTGDR2DHODHPPARG
SCHEMBL832081 0.82 CYP2C8 (0.44) SCN9APTGDR2PPARGMEN1KMT2A
SCHEMBL862750 0.82 CYP2C8 (0.42) MAPTSCN9APTGDR2PPARGMEN1
SCHEMBL831253 0.81 CYP2C8 (0.45) SCN9APTGDR2MEN1KMT2ASCN2B

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 MAPT 1047/4885SCN9A 3807/4885PTGDR2 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.