SCHEMBL3574704

SCHEMBL3574704

Cc1ccc(-n2c(C(=O)O)cc3cc(-c4ccc(C(C)(C)C)cc4)ccc32)cc1[N+](=O)[O-]

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGES O14684 2/20 0.59
NPC1 O15118 4/20 0.44
MAPK1 P28482 4/20 0.44
RAB9A P51151 4/20 0.44
LMNA P02545 2/20 0.44
MAPT P10636 2/20 0.44
ATM Q13315 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
TSHR P16473 2/20 0.40
LDHA P00338 1/20 0.38
NR1H4 Q96RI1 1/20 0.37
CCR9 P51686 4/20 0.36
HTT P42858 2/20 0.35
HPGD P15428 1/20 0.35
ALDH1A1 P00352 2/20 0.35
CES2 O00748 1/20 0.35
CES1 P23141 1/20 0.35
GLA P06280 1/20 0.34
CASP3 P42574 1/20 0.34
SENP8 Q96LD8 1/20 0.34

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
SCHEMBL3574571 0.85 PTGES (0.69) PTGESNPC1MAPK1RAB9ALMNA
SCHEMBL3578854 0.82 PTGES (0.53) PTGESLMNAMAPTLDHAHPGD
SCHEMBL5266420 0.80 ALDH1A1 (0.58) NPC1MAPK1RAB9ALMNAMAPT
SCHEMBL3567316 0.79 PTGES (0.71) PTGESTSHRLDHANR1H4CCR9
SCHEMBL3569788 0.79 PTGES (0.71) PTGESTSHRLDHANR1H4CCR9
SCHEMBL3573984 0.78 PTGES (0.67) PTGESTSHRLDHANR1H4ALDH1A1
SCHEMBL3577508 0.77 PTGES (0.66) PTGESTSHRLDHACCR9ALDH1A1
SCHEMBL3582741 0.76 PTGES (0.54) PTGESNPC1RAB9ALMNAMAPT
SCHEMBL4918262 0.75 GFER (0.41) PTGESLMNAMAPTTDP1TSHR
SCHEMBL4926095 0.75 GFER (0.44) PTGESTDP1MEN1KMT2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7705023-B2 Indoles useful in the treatment of inflammation BIOLIPOX AB (SE) 2010-04-27 US disclosed
EP-1778632-B1 INDOLES USEFUL IN THE TREATMENT OF INFLAMMATION BIOLIPOX AB (SE) 2008-08-20 EP disclosed
US-20070287715-A1 Indoles Useful in the Treatment of Inflammation BIOLIPOX AB (SE) 2007-12-13 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-20070287715-A1 Indoles Useful in the Treatment of Inflammation PTGS1, IDO1, PTGES PTGES 3/4885NPC1 2709/4885MAPK1 1991/4885

“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.