SCHEMBL6091368

SCHEMBL6091368

O=C(Nc1c(C(=O)O)n(Cc2cccc(Cl)c2)c2cc(-c3cc(F)cc(F)c3)ccc12)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 2/20 0.43
GRIN2B Q13224 2/20 0.43
PTGES O14684 1/20 0.42
EGLN2 Q96KS0 1/20 0.40
EGLN1 Q9GZT9 1/20 0.40
EGLN3 Q9H6Z9 1/20 0.40
PTGER4 P35408 5/20 0.40
HDAC1 Q13547 2/20 0.39
HDAC8 Q9BY41 2/20 0.39
HDAC6 Q9UBN7 2/20 0.39
HDAC11 Q96DB2 1/20 0.39
HIF1A Q16665 1/20 0.38
EPAS1 Q99814 1/20 0.38
PLA2G2A P14555 1/20 0.38
P2RY14 Q15391 1/20 0.38
SLC2A1 P11166 2/20 0.38
HSPH1 Q92598 1/20 0.38
HPGD P15428 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
EPHX2 P34913 1/20 0.37

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
SCHEMBL6093252 0.93 GRIN1 (0.45) GRIN1GRIN2BPTGESPTGER4HDAC1
SCHEMBL6092260 0.93 SERPINE1 (0.43) GRIN1GRIN2BPTGESPTGER4PLA2G2A
SCHEMBL6089650 0.93 GRIN1 (0.44) GRIN1GRIN2BPTGESPTGER4HDAC1
SCHEMBL6091451 0.93 SLC2A1 (0.44) GRIN1GRIN2BPTGESEGLN2EGLN1
SCHEMBL6093213 0.91 PTGES (0.55) GRIN1GRIN2BPTGESPTGER4PPARG
SCHEMBL6092477 0.89 PTGER4 (0.43) GRIN1GRIN2BPTGESPTGER4PLA2G2A
SCHEMBL6090994 0.89 TP53 (0.46) GRIN1GRIN2BPTGES
SCHEMBL6094279 0.89 GRIN1 (0.42) GRIN1GRIN2BPTGESPTGER4PLA2G2A
SCHEMBL6091618 0.89 GRIN1 (0.42) GRIN1GRIN2BPTGESEGLN2PTGER4
SCHEMBL6091457 0.87 GRIN1 (0.41) GRIN1GRIN2BPTGER4HDAC1HDAC8

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 GRIN1 1424/4885GRIN2B 2380/4885PTGES 4/4885

“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.