SCHEMBL6089799

SCHEMBL6089799

O=C(/C=C/c1ccccc1)Nc1c(C(=O)O)n(Cc2cccc(Cl)c2)c2cc(-c3cc(F)cc(F)c3)ccc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 1/20 0.43
GRIN2B Q13224 1/20 0.43
EGFR P00533 4/20 0.42
MMP1 P03956 2/20 0.42
MMP2 P08253 2/20 0.42
MMP9 P14780 2/20 0.42
MAOB P27338 2/20 0.42
MAOA P21397 1/20 0.42
TRPM2 O94759 1/20 0.41
DHFR P00374 3/20 0.40
ALDH1A1 P00352 2/20 0.39
HPGD P15428 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
CDK9 P50750 1/20 0.39
MAPT P10636 1/20 0.39
PTGES O14684 1/20 0.39
CCR2 P41597 1/20 0.38
POLB P06746 1/20 0.38

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
SCHEMBL6089800 1.00 GRIN1 (0.43) GRIN1GRIN2BEGFRMMP1MMP2
SCHEMBL6089650 0.84 GRIN1 (0.44) GRIN1GRIN2BALDH1A1HPGDHDAC1
SCHEMBL6090833 0.84 GRIN1 (0.42) GRIN1GRIN2BHPGDMAPTPTGES
SCHEMBL6093252 0.83 GRIN1 (0.45) GRIN1GRIN2BALDH1A1HPGDHDAC1
SCHEMBL6090737 0.83 GRIN1 (0.45) GRIN1GRIN2BMAPTPTGESCCR2
SCHEMBL6089685 0.82 GRIN1 (0.44) GRIN1GRIN2BALDH1A1PTGESCCR2
SCHEMBL6093147 0.81 GRIN1 (0.41) GRIN1GRIN2BALDH1A1HPGDCDK9
SCHEMBL6091659 0.81 GRIN1 (0.41) GRIN1GRIN2BALDH1A1HPGDCDK9
SCHEMBL6091649 0.81 GRIN1 (0.41) GRIN1GRIN2BALDH1A1HPGDCDK9
SCHEMBL6091368 0.80 GRIN1 (0.43) GRIN1GRIN2BHPGDHDAC1HDAC8

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 2380/4885EGFR 2800/4885

“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.