SCHEMBL831948

SCHEMBL831948

Cc1ccc2c(c1)c(-c1ccc[nH]c1=O)c(C(=O)NS(C)(=O)=O)n2Cc1cc([N+](=O)[O-])ccc1Cl

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C8 P10632 1/20 0.40
FLT1 P17948 2/20 0.35
FLT4 P35916 2/20 0.35
KDR P35968 2/20 0.35
ALDH1A1 P00352 3/20 0.35
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.35
PTGDR2 Q9Y5Y4 3/20 0.34
CHEK1 O14757 1/20 0.34
CDK1 P06493 1/20 0.34
WEE1 P30291 1/20 0.34
MAPT P10636 4/20 0.33
KMT2A Q03164 3/20 0.33
MEN1 O00255 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
CCR2 P41597 1/20 0.33
GAA P10253 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
PLA2G2A P14555 1/20 0.33
HTT P42858 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
SCHEMBL831753 0.92 CYP2C8 (0.41) CYP2C8ALDH1A1LMNAPTGDR2CHEK1
SCHEMBL832353 0.91 CYP2C8 (0.38) CYP2C8FLT1FLT4KDRALDH1A1
SCHEMBL832004 0.91 CYP2C8 (0.38) CYP2C8FLT1FLT4KDRALDH1A1
SCHEMBL831622 0.88 PPARG (0.41) ALDH1A1KMT2AMEN1SMN1; SMN2CCR2
SCHEMBL13905195 0.84 CYP2C8 (0.38) CYP2C8ALDH1A1KDM4ELMNAPTGDR2
SCHEMBL831523 0.84 CYP2C8 (0.43) CYP2C8ALDH1A1PTGDR2KMT2AMEN1
SCHEMBL832425 0.84 CYP2C8 (0.39) CYP2C8ALDH1A1LMNAPTGDR2MAPT
SCHEMBL831583 0.84 CYP2C8 (0.39) CYP2C8ALDH1A1KDM4ELMNAPTGDR2
SCHEMBL830923 0.83 CYP2C8 (0.37) CYP2C8FLT1FLT4KDRALDH1A1
SCHEMBL831903 0.83 CYP2C8 (0.45) CYP2C8ALDH1A1KDM4ELMNAPTGDR2

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 847/4885FLT1 3635/4885FLT4 2781/4885

“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.