SCHEMBL6089650

SCHEMBL6089650

O=C(Nc1c(C(=O)O)n(Cc2cccc(Cl)c2)c2cc(-c3cc(F)cc(F)c3)ccc12)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 1/20 0.44
GRIN2B Q13224 1/20 0.44
SERPINE1 P05121 3/20 0.41
PTGER4 P35408 2/20 0.41
DRD2 P14416 1/20 0.41
DRD4 P21917 1/20 0.41
HPGD P15428 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MEN1 O00255 1/20 0.40
LMNA P02545 1/20 0.40
KMT2A Q03164 1/20 0.40
ALDH1A1 P00352 1/20 0.40
PTGES O14684 1/20 0.40
CCR2 P41597 1/20 0.40
P2RY14 Q15391 1/20 0.40
SLC2A1 P11166 2/20 0.39
POLB P06746 1/20 0.39
PGR P06401 1/20 0.39
PPARG P37231 2/20 0.39
HDAC1 Q13547 1/20 0.39

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 0.96 GRIN1 (0.45) GRIN1GRIN2BPTGER4HPGDSMN1; SMN2
SCHEMBL6091368 0.93 GRIN1 (0.43) GRIN1GRIN2BPTGER4HPGDSMN1; SMN2
SCHEMBL6092477 0.92 PTGER4 (0.43) GRIN1GRIN2BPTGER4PTGESP2RY14
SCHEMBL6092260 0.92 SERPINE1 (0.43) GRIN1GRIN2BSERPINE1PTGER4HPGD
SCHEMBL6091618 0.91 GRIN1 (0.42) GRIN1GRIN2BPTGER4HPGDSMN1; SMN2
SCHEMBL6090994 0.91 TP53 (0.46) GRIN1GRIN2BMEN1KMT2APTGES
SCHEMBL6094279 0.91 GRIN1 (0.42) GRIN1GRIN2BPTGER4HPGDSMN1; SMN2
SCHEMBL6091457 0.90 GRIN1 (0.41) GRIN1GRIN2BPTGER4P2RY14POLB
SCHEMBL6093213 0.90 PTGES (0.55) GRIN1GRIN2BSERPINE1PTGER4DRD2
SCHEMBL6090512 0.89 GRIN1 (0.47) GRIN1GRIN2BPTGER4HPGDSMN1; SMN2

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 2380/4885SERPINE1 508/4885

“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.