SCHEMBL6092644

SCHEMBL6092644

O=C(O)c1cccc(-c2c(C(=O)O)n(Cc3cccc([N+](=O)[O-])c3)c3cc(-c4ccc(OCc5ccccc5)cc4)ccc23)c1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
LMNA P02545 1/20 0.49
EDNRB P24530 3/20 0.48
EDNRA P25101 3/20 0.48
ALDH1A1 P00352 1/20 0.46
RAB9A P51151 1/20 0.46
MAOB P27338 2/20 0.45
MAOA P21397 1/20 0.45
NR4A2 P43354 1/20 0.43
MRGPRX4 Q96LA9 1/20 0.43
SERPINE1 P05121 1/20 0.42
ADAMTS4 O75173 1/20 0.42
MMP13 P45452 1/20 0.42
PGR P06401 1/20 0.42
NR1H4 Q96RI1 1/20 0.41
CCR2 P41597 1/20 0.41

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
SCHEMBL6092403 0.81 MAPT (0.41) MAPTMEN1KMT2ALMNAEDNRB
SCHEMBL6091749 0.80 MAPT (0.47) MAPTMEN1KMT2ALMNAALDH1A1
SCHEMBL6092119 0.76 MAPT (0.42) MAPTMEN1KMT2ALMNAALDH1A1
SCHEMBL7477872 0.74 MRGPRX4 (0.74) RAB9ANR4A2MRGPRX4NR1H4
SCHEMBL5745661 0.74 PPARG (0.54) EDNRBEDNRASERPINE1
SCHEMBL12533265 0.73 MAOB (0.66) MAPTMEN1KMT2ALMNAALDH1A1
SCHEMBL2808240 0.73 SERPINE1 (0.57) EDNRBEDNRANR4A2SERPINE1
SCHEMBL8545345 0.72 EDNRB (0.69) EDNRBEDNRASERPINE1
SCHEMBL8856902 0.72 EDNRB (0.58) MEN1KMT2ALMNAEDNRBEDNRA
SCHEMBL8991408 0.71 MAOB (0.79) MAPTMEN1KMT2ALMNAALDH1A1

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 MAPT 3503/4885MEN1 3878/4885KMT2A 3542/4885

“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.