SCHEMBL862326

SCHEMBL862326

CS(=O)(=O)NC(=O)c1c(-c2ccc[nH]c2=O)c2cc(Cl)ccc2n1CC1CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C8 P10632 1/20 0.38
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
CYP1A2 P05177 1/20 0.37
HPGD P15428 1/20 0.37
MDM2 Q00987 2/20 0.36
KMT2A Q03164 1/20 0.36
TP53 P04637 1/20 0.36
SCN9A Q15858 4/20 0.36
CHEK1 O14757 1/20 0.36
CDK1 P06493 1/20 0.36
WEE1 P30291 1/20 0.36
PTGDR2 Q9Y5Y4 2/20 0.35
KRAS P01116 4/20 0.35
CRHR1 P34998 1/20 0.35
SCN7A Q01118 1/20 0.34
SCN5A Q14524 1/20 0.34
PSEN1 P49768 1/20 0.34
PSEN2 P49810 1/20 0.34
APH1B Q8WW43 1/20 0.34

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
SCHEMBL10256117 0.96 SCN9A (0.39) CYP2C8KDM4EALDH1A1CYP1A2HPGD
SCHEMBL10256960 0.95 CHRM1 (0.37) CYP2C8KDM4EALDH1A1CYP1A2HPGD
SCHEMBL862139 0.94 MAPK8 (0.35) CYP2C8KDM4EALDH1A1CYP1A2HPGD
SCHEMBL10255118 0.91 SCN9A (0.40) CYP2C8KDM4EALDH1A1CYP1A2HPGD
SCHEMBL12890345 0.90 SCN9A (0.33) CYP2C8KDM4EALDH1A1CYP1A2HPGD
SCHEMBL862363 0.89 KMT2A (0.34) CYP2C8KDM4EALDH1A1CYP1A2HPGD
SCHEMBL831565 0.88 ALDH1A1 (0.40) CYP2C8KDM4EALDH1A1CYP1A2HPGD
SCHEMBL862037 0.87 KMT2A (0.44) CYP2C8KDM4EALDH1A1CYP1A2HPGD
SCHEMBL831574 0.87 KDM4E (0.41) CYP2C8KDM4EALDH1A1CYP1A2HPGD
SCHEMBL862067 0.86 KMT2A (0.50) CYP2C8KDM4EALDH1A1CYP1A2HPGD

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 CYP2C8 847/4885KDM4E 1061/4885ALDH1A1 1792/4885

“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.