SCHEMBL5835987

SCHEMBL5835987

COc1c(-c2nc3cc(-c4cccc(C(C)=O)c4)ccc3o2)cccc1[N+](=O)[O-]

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 2/20 0.48
PTGS2 P35354 2/20 0.47
MAPT P10636 8/20 0.44
THRB P10828 2/20 0.44
TP53 P04637 2/20 0.44
RAB9A P51151 5/20 0.44
NPC1 O15118 4/20 0.44
ALDH1A1 P00352 2/20 0.44
AGPAT2 O15120 1/20 0.44
ABCC1 P33527 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
PPARG P37231 1/20 0.42
GAA P10253 1/20 0.42
HPGD P15428 1/20 0.42
HSD17B10 Q99714 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
LMNA P02545 1/20 0.41
MAPK1 P28482 1/20 0.41
CETP P11597 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
SCHEMBL5835547 0.84 PTGS2 (0.58) ABCB1PTGS2MAPTTP53RAB9A
SCHEMBL5835417 0.80 MAPT (0.45) MAPTTHRBTP53RAB9ANPC1
SCHEMBL6503991 0.79 UTRN (0.46) MAPTTHRBTP53RAB9ANPC1
SCHEMBL5835076 0.75 NPC1 (0.58) PTGS2MAPTTP53RAB9ANPC1
SCHEMBL5835980 0.74 MAPT (0.49) PTGS2MAPTTHRBTP53RAB9A
SCHEMBL5834305 0.73 PTGS2 (0.55) PTGS2MAPTALDH1A1GAAHPGD
SCHEMBL1705873 0.71 TPMT (0.50) ABCB1MAPTTP53ALDH1A1ABCC1
SCHEMBL15413444 0.70 RAB9A (0.66) MAPTTHRBTP53RAB9ANPC1
SCHEMBL5834325 0.69 RAB9A (0.61) PTGS2MAPTTHRBTP53RAB9A
SCHEMBL5834479 0.69 RAB9A (0.64) PTGS2MAPTTHRBTP53RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7138425-B2 Phthalimide carboxylic acid derivatives OXFORD GLYCOSCIENCE (UK) LTD. (GB) 2006-11-21 US disclosed
US-20050203153-A1 Phthalimide carboxylic acid derivatives OXFORD GLYCOSCIENCE (UK) LTD. (GB) 2005-09-15 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-20050203153-A1 Phthalimide carboxylic acid derivatives H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, HCCS, IDH1 ABCB1 1676/4885PTGS2 1244/4885MAPT 1342/4885

“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.