SCHEMBL831835

SCHEMBL831835

Cc1ccc2c(c1)c(-c1ccc[nH]c1=O)c(C(=O)NS(=O)(=O)C1CC1)n2Cc1cccc([N+](=O)[O-])c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNB4 O00305 1/20 0.38
CACNA1A O00555 1/20 0.38
CACNA1G O43497 1/20 0.38
CACNG3 O60359 1/20 0.38
CACNA1F O60840 1/20 0.38
CACNA1H O95180 1/20 0.38
CACNB3 P54284 1/20 0.38
CACNA2D1 P54289 1/20 0.38
CACNG7 P62955 1/20 0.38
CACNA1B Q00975 1/20 0.38
CACNA1D Q01668 1/20 0.38
CACNB1 Q02641 1/20 0.38
CACNG1 Q06432 1/20 0.38
CACNB2 Q08289 1/20 0.38
CACNA1S Q13698 1/20 0.38
CACNA1C Q13936 1/20 0.38
CACNA1E Q15878 1/20 0.38
CACNA2D4 Q7Z3S7 1/20 0.38
CACNA2D3 Q8IZS8 1/20 0.38
CACNG8 Q8WXS5 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
SCHEMBL831622 0.90 PPARG (0.41) CACNB4CACNA1ACACNA1GCACNG3CACNA1F
SCHEMBL831390 0.89 CYP2C8 (0.39) KMT2ASMN1; SMN2MEN1
SCHEMBL831548 0.89 NOX4 (0.37) CACNB4CACNA1ACACNA1GCACNG3CACNA1F
SCHEMBL832004 0.89 CYP2C8 (0.38) KMT2AALDH1A1SMN1; SMN2MEN1
SCHEMBL12665804 0.85 PIK3R1 (0.44) CACNB4CACNA1ACACNA1GCACNG3CACNA1F
SCHEMBL12665134 0.85 CYP2C8 (0.45) CACNB4CACNA1ACACNA1GCACNG3CACNA1F
SCHEMBL830779 0.83 CYP2C8 (0.41) KMT2AALDH1A1MEN1
SCHEMBL830699 0.83 KMT2A (0.36) KMT2AMEN1CYP2C19
SCHEMBL13905361 0.83 CYP2C8 (0.38) KMT2A
SCHEMBL831420 0.83 CYP2C8 (0.40)

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 2 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

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 CACNB4 3515/4885CACNA1A 2927/4885CACNA1G 4133/4885

“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.