SCHEMBL6090994

SCHEMBL6090994

COc1ccc(C(=O)Nc2c(C(=O)O)n(Cc3cccc(Cl)c3)c3cc(-c4cc(F)cc(F)c4)ccc23)cc1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TP53 P04637 5/20 0.46
POLB P06746 2/20 0.46
RXFP1 Q9HBX9 1/20 0.44
YWHAH Q04917 2/20 0.44
PTGES O14684 1/20 0.43
GRIN1 Q05586 2/20 0.42
GRIN2B Q13224 2/20 0.42
CSNK2A2 P19784 1/20 0.41
CSNK2A1 P68400 1/20 0.41
MAPT P10636 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL6090341 0.94 TP53 (0.43) TP53POLBRXFP1YWHAHPTGES
SCHEMBL6093252 0.92 GRIN1 (0.45) TP53POLBPTGESGRIN1GRIN2B
SCHEMBL6091176 0.92 PTGES (0.43) TP53POLBYWHAHPTGESGRIN1
SCHEMBL6089650 0.91 GRIN1 (0.44) POLBPTGESGRIN1GRIN2BMEN1
SCHEMBL6091449 0.91 PTGES (0.42) TP53POLBYWHAHPTGESGRIN1
SCHEMBL6091437 0.91 PTGES (0.42) TP53POLBYWHAHPTGESGRIN1
SCHEMBL6093213 0.91 PTGES (0.55) TP53POLBPTGESGRIN1GRIN2B
SCHEMBL6089633 0.90 TP53 (0.48) TP53POLBYWHAHPTGESGRIN1
SCHEMBL6092477 0.90 PTGER4 (0.43) YWHAHPTGESGRIN1GRIN2B
SCHEMBL6092260 0.90 SERPINE1 (0.43) PTGESGRIN1GRIN2B

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060160879-A1 Indoles useful in the treatment of inflammation BIOLIPOX AB (SE) 2006-07-20 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-20060160879-A1 Indoles useful in the treatment of inflammation IDO1, PTGS1, IDO2 TP53 2032/4885POLB 3825/4885RXFP1 106/4885

“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.