SCHEMBL831545

SCHEMBL831545

CS(=O)(=O)NC(=O)c1c(-c2ccc[nH]c2=O)c2cc(Cl)ccc2n1Cc1ccnc(N)c1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.40
MCL1 Q07820 1/20 0.39
CYP2C8 P10632 1/20 0.38
RCE1 Q9Y256 1/20 0.37
PPARG P37231 1/20 0.36
PTGDR2 Q9Y5Y4 6/20 0.36
PTGS1 P23219 1/20 0.36
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP1A2 P05177 1/20 0.35
HPGD P15428 1/20 0.35
MEN1 O00255 2/20 0.34
CCR2 P41597 1/20 0.34
CHEK1 O14757 1/20 0.33
CDK1 P06493 1/20 0.33
WEE1 P30291 1/20 0.33

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
SCHEMBL831718 0.93 KMT2A (0.40) KMT2AMCL1CYP2C8RCE1PTGDR2
SCHEMBL10255123 0.93 KMT2A (0.41) KMT2AMCL1CYP2C8RCE1PPARG
SCHEMBL830953 0.92 KMT2A (0.39) KMT2AMCL1CYP2C8RCE1PTGDR2
SCHEMBL831951 0.92 KMT2A (0.41) KMT2AMCL1CYP2C8RCE1PPARG
SCHEMBL831409 0.92 CYP2C8 (0.40) KMT2AMCL1CYP2C8RCE1PPARG
SCHEMBL862469 0.91 PPARG (0.36) KMT2AMCL1CYP2C8PPARGPTGDR2
SCHEMBL10260727 0.91 PPARG (0.38) KMT2AMCL1CYP2C8PPARGPTGDR2
SCHEMBL831134 0.90 KMT2A (0.44) KMT2AMCL1CYP2C8RCE1PPARG
SCHEMBL832375 0.90 KMT2A (0.42) KMT2AMCL1CYP2C8RCE1PPARG
SCHEMBL832324 0.90 SERPINE1 (0.38) KMT2AMCL1CYP2C8RCE1PPARG

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 321/4885MCL1 872/4885CYP2C8 847/4885

“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.