SCHEMBL831654

SCHEMBL831654

Cc1ccc2c(c1)c(-c1ccc[nH]c1=O)c(C(=O)N[S+](C)[O-])n2Cc1cc([N+](=O)[O-])ccc1F

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP2C8 P10632 1/20 0.40
KMT2A Q03164 2/20 0.34
MAPT P10636 3/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CDK2 P24941 1/20 0.32
LMNA P02545 3/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HTT P42858 1/20 0.32
PLA2G2A P14555 1/20 0.31
S1PR3 Q99500 1/20 0.31
NTRK1 P04629 1/20 0.31
CASP3 P42574 1/20 0.31
PDGFRB P09619 1/20 0.30
JAK3 P52333 1/20 0.30
NOX4 Q9NPH5 1/20 0.30
PARG Q86W56 1/20 0.30

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
SCHEMBL832427 0.93 CYP2C8 (0.39) CYP2C8KMT2AMAPTSMN1; SMN2CDK2
SCHEMBL832419 0.92 CYP2C8 (0.39) CYP2C8KMT2AMAPTSMN1; SMN2CDK2
SCHEMBL831753 0.89 CYP2C8 (0.41) CYP2C8KMT2AMAPTSMN1; SMN2CDK2
SCHEMBL12665214 0.88 CYP2C8 (0.51) CYP2C8KMT2AMAPTSMN1; SMN2CDK2
SCHEMBL12665807 0.88 CYP2C8 (0.43) CYP2C8KMT2AMAPTCDK2LMNA
SCHEMBL832425 0.87 CYP2C8 (0.39) CYP2C8KMT2AMAPTSMN1; SMN2CDK2
SCHEMBL831583 0.87 CYP2C8 (0.39) CYP2C8KMT2AMAPTSMN1; SMN2CDK2
SCHEMBL831390 0.85 CYP2C8 (0.39) CYP2C8KMT2AMAPTSMN1; SMN2CDK2
SCHEMBL831948 0.81 CYP2C8 (0.40) CYP2C8KMT2AMAPTSMN1; SMN2LMNA
SCHEMBL13905359 0.80 CYP2C8 (0.39) CYP2C8KMT2A

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 3 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
WO-2009032116-A1 2, 3-SUBSTITUTED INDOLE DERIVATIVES FOR TREATING VIRAL INFECTIONS SCHERING CORPORATION (US) 2009-03-12 WO 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 321/4885MAPT 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.