SCHEMBL6091618

SCHEMBL6091618

N#Cc1ccc(C(=O)Nc2c(C(=O)O)n(Cc3cccc(Cl)c3)c3cc(-c4cc(F)cc(F)c4)ccc23)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 2/20 0.42
GRIN2B Q13224 2/20 0.42
CCR2 P41597 1/20 0.40
HDAC8 Q9BY41 2/20 0.39
HDAC6 Q9UBN7 2/20 0.39
HDAC1 Q13547 1/20 0.39
ALDH1A1 P00352 1/20 0.39
PTGES O14684 1/20 0.38
EGLN2 Q96KS0 2/20 0.37
PGR P06401 1/20 0.37
CHRM3 P20309 1/20 0.37
P2RY14 Q15391 1/20 0.37
HPGD P15428 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
KDM4E B2RXH2 1/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
SLC2A1 P11166 1/20 0.37
CDC7 O00311 1/20 0.37
DAPK3 O43293 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
SCHEMBL6091904 0.92 CCR2 (0.44) CCR2HDAC8HDAC6HDAC1ALDH1A1
SCHEMBL6093252 0.92 GRIN1 (0.45) GRIN1GRIN2BCCR2HDAC8HDAC6
SCHEMBL6089650 0.91 GRIN1 (0.44) GRIN1GRIN2BCCR2HDAC8HDAC6
SCHEMBL6091368 0.89 GRIN1 (0.43) GRIN1GRIN2BHDAC8HDAC6HDAC1
SCHEMBL6092260 0.88 SERPINE1 (0.43) GRIN1GRIN2BPTGESP2RY14HPGD
SCHEMBL6092477 0.88 PTGER4 (0.43) GRIN1GRIN2BPTGESP2RY14PTGER4
SCHEMBL6094279 0.87 GRIN1 (0.42) GRIN1GRIN2BCCR2ALDH1A1PTGES
SCHEMBL6090994 0.87 TP53 (0.46) GRIN1GRIN2BPTGESKDM4EMAPT
SCHEMBL6093213 0.86 PTGES (0.55) GRIN1GRIN2BPTGESCHRM3PTGER4
SCHEMBL6091457 0.86 GRIN1 (0.41) GRIN1GRIN2BHDAC8HDAC6HDAC1

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 2380/4885CCR2 377/4885

“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.