SCHEMBL862363

SCHEMBL862363

CS(=O)(=O)NC(=O)c1c(-c2ccc[nH]c2=O)c2cc(Cl)ccc2n1CC1CCCN(S(C)(=O)=O)C1

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.34
KAT8 Q9H7Z6 1/20 0.34
KRAS P01116 3/20 0.33
CHEK1 O14757 1/20 0.33
CDK1 P06493 1/20 0.33
WEE1 P30291 1/20 0.33
SCN9A Q15858 3/20 0.33
POLB P06746 1/20 0.33
AXL P30530 3/20 0.33
CYP2C8 P10632 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP1A2 P05177 1/20 0.33
HPGD P15428 1/20 0.33
CNR1 P21554 2/20 0.32
CNR2 P34972 2/20 0.32
SCN7A Q01118 1/20 0.32
SCN5A Q14524 1/20 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
SCHEMBL862139 0.91 MAPK8 (0.35) KMT2ACHEK1CDK1WEE1SCN9A
SCHEMBL10256117 0.90 SCN9A (0.39) KMT2ACHEK1CDK1WEE1SCN9A
SCHEMBL862326 0.89 CYP2C8 (0.38) KMT2AKRASCHEK1CDK1WEE1
SCHEMBL10255118 0.87 SCN9A (0.40) SCN9ACYP2C8KDM4EALDH1A1CYP1A2
SCHEMBL10256960 0.86 CHRM1 (0.37) KMT2ACHEK1CDK1WEE1CYP2C8
SCHEMBL12890345 0.86 SCN9A (0.33) KMT2AKRASCHEK1CDK1WEE1
SCHEMBL829937 0.83 SCN9A (0.38) KAT8KRASSCN9ASCN7ASCN5A
SCHEMBL831565 0.82 ALDH1A1 (0.40) KMT2ACHEK1CDK1WEE1SCN9A
SCHEMBL862308 0.80 ALDH1A1 (0.38) KMT2ASCN9ACYP2C8KDM4EALDH1A1
SCHEMBL862037 0.80 KMT2A (0.44) KMT2ACHEK1CDK1WEE1CYP2C8

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 KMT2A 321/4885KAT8 2901/4885KRAS 3644/4885

“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.