SCHEMBL6090166

SCHEMBL6090166

O=C(Nc1c(C(=O)O)n(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2cc(-c3ccc4c(c3)OCO4)ccc12)c1ccc(Cl)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 12/20 0.47
EDNRB P24530 11/20 0.47
LMNA P02545 2/20 0.41
ALDH1A1 P00352 2/20 0.41
MAPK1 P28482 1/20 0.41
ABCB1 P08183 1/20 0.40
TP53 P04637 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
PPARG P37231 1/20 0.40
NPC1 O15118 1/20 0.40
NFKB1 P19838 1/20 0.40
RAB9A P51151 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HTT P42858 1/20 0.40
MAPT P10636 1/20 0.39
TSHR P16473 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
SCHEMBL6090163 0.87 ABCB1 (0.41) ABCB1MAPT
SCHEMBL6091451 0.80 SLC2A1 (0.44) ABCB1PPARG
SCHEMBL6090836 0.78 PPARG (0.47) ABCB1MEN1KMT2APPARGMAPT
SCHEMBL6091368 0.75 GRIN1 (0.43) SMN1; SMN2PPARG
SCHEMBL6089976 0.74 PTGES (0.44) ABCB1MEN1KMT2APPARGMAPT
SCHEMBL6093040 0.74 SERPINE1 (0.45) ABCB1SMN1; SMN2PPARGNPC1RAB9A
SCHEMBL5749488 0.74 PTGER4 (0.46) ALDH1A1ABCB1SMN1; SMN2MEN1KMT2A
SCHEMBL6092421 0.73 PTGES (0.57) ABCB1PPARG
SCHEMBL6093252 0.73 GRIN1 (0.45) ALDH1A1ABCB1TP53SMN1; SMN2MEN1
SCHEMBL5748986 0.72 PTGER4 (0.42) LMNAALDH1A1ABCB1SMN1; SMN2MEN1

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 EDNRA 155/4885EDNRB 226/4885LMNA 3087/4885

“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.