SCHEMBL831690

SCHEMBL831690

Nc1cc(Cn2c(C(=O)NS(=O)(=O)c3ccccc3N)c(-c3ccc[nH]c3=O)c3cc(Cl)ccc32)ccn1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.40
RCE1 Q9Y256 1/20 0.36
CYP2C8 P10632 1/20 0.36
PPARG P37231 2/20 0.34
POLB P06746 1/20 0.33
MEN1 O00255 1/20 0.33
CCR2 P41597 1/20 0.33
FLT1 P17948 1/20 0.33
FLT4 P35916 1/20 0.33
KDR P35968 1/20 0.33
MCL1 Q07820 1/20 0.33
PTGDR2 Q9Y5Y4 4/20 0.33
SERPINE1 P05121 2/20 0.32

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
SCHEMBL831706 0.94 KMT2A (0.39) KMT2ARCE1CYP2C8PPARGPOLB
SCHEMBL832375 0.91 KMT2A (0.42) KMT2ARCE1CYP2C8PPARGCCR2
SCHEMBL832600 0.91 ALKBH2 (0.38) KMT2ARCE1CYP2C8PPARGCCR2
SCHEMBL832554 0.90 KMT2A (0.37) KMT2ARCE1CYP2C8PPARGMEN1
SCHEMBL831864 0.90 KMT2A (0.36) KMT2ARCE1CYP2C8MEN1CCR2
SCHEMBL10255123 0.90 KMT2A (0.41) KMT2ARCE1CYP2C8PPARGMEN1
SCHEMBL832240 0.90 KMT2A (0.36) KMT2ARCE1CYP2C8PPARGPOLB
SCHEMBL832479 0.89 KMT2A (0.38) KMT2ARCE1CYP2C8PPARGFLT1
SCHEMBL832230 0.89 KMT2A (0.39) KMT2ARCE1CYP2C8PPARGMEN1
SCHEMBL831545 0.89 KMT2A (0.40) KMT2ARCE1CYP2C8PPARGMEN1

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 321/4885RCE1 1745/4885CYP2C8 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.