SCHEMBL832600

SCHEMBL832600

Nc1cc(Cn2c(C(=O)NS(=O)(=O)c3ccccc3[N+](=O)[O-])c(-c3ccc[nH]c3=O)c3cc(Cl)ccc32)ccn1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALKBH2 Q6NS38 1/20 0.38
ALKBH5 Q6P6C2 1/20 0.38
ALKBH3 Q96Q83 1/20 0.38
FTO Q9C0B1 1/20 0.38
NR1I2 O75469 1/20 0.37
KMT2A Q03164 3/20 0.37
CYP2C8 P10632 1/20 0.35
ALDH1A1 P00352 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
RCE1 Q9Y256 1/20 0.34
MCL1 Q07820 5/20 0.33
GRM5 P41594 1/20 0.33
BCL2 P10415 3/20 0.32
PPARG P37231 1/20 0.32
FLT1 P17948 1/20 0.32
FLT4 P35916 1/20 0.32
KDR P35968 1/20 0.32
SERPINE1 P05121 1/20 0.32
CCR2 P41597 1/20 0.31

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 0.91 KMT2A (0.39) NR1I2KMT2ACYP2C8RCE1MCL1
SCHEMBL831690 0.91 KMT2A (0.40) KMT2ACYP2C8RCE1MCL1PPARG
SCHEMBL832554 0.88 KMT2A (0.37) KMT2ACYP2C8ALDH1A1RCE1MCL1
SCHEMBL832375 0.88 KMT2A (0.42) KMT2ACYP2C8RCE1MCL1PPARG
SCHEMBL832263 0.88 FLT1 (0.43) KMT2ARCE1MCL1BCL2PPARG
SCHEMBL832240 0.87 KMT2A (0.36) KMT2ACYP2C8RCE1PPARGCCR2
SCHEMBL832479 0.87 KMT2A (0.38) KMT2ACYP2C8RCE1MCL1BCL2
SCHEMBL831140 0.86 KMT2A (0.38) KMT2ACYP2C8RCE1MCL1BCL2
SCHEMBL831596 0.86 KMT2A (0.38) KMT2ACYP2C8RCE1MCL1PPARG
SCHEMBL10255123 0.86 KMT2A (0.41) KMT2ACYP2C8ALDH1A1RCE1MCL1

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 ALKBH2 102/4885ALKBH5 84/4885ALKBH3 111/4885

“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.