SCHEMBL5835547

SCHEMBL5835547

COc1ccc(-c2nc3cc(-c4cccc(C(C)=O)c4)ccc3o2)cc1[N+](=O)[O-]

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 8/20 0.58
RAB9A P51151 4/20 0.55
NPC1 O15118 3/20 0.55
MAPT P10636 6/20 0.51
ABCB1 P08183 2/20 0.51
ABCC1 P33527 1/20 0.49
TP53 P04637 1/20 0.48
HPSE Q9Y251 3/20 0.48
ALDH1A1 P00352 2/20 0.48
KDM4E B2RXH2 1/20 0.48
HPGD P15428 1/20 0.48
MAPK1 P28482 1/20 0.48
HSD17B10 Q99714 1/20 0.48
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL5835076 0.91 NPC1 (0.58) PTGS2RAB9ANPC1MAPTTP53
SCHEMBL5834479 0.86 RAB9A (0.64) PTGS2RAB9ANPC1MAPTTP53
SCHEMBL5834325 0.86 RAB9A (0.61) PTGS2RAB9ANPC1MAPTTP53
SCHEMBL5834747 0.85 RAB9A (0.58) PTGS2RAB9ANPC1MAPTTP53
SCHEMBL5834241 0.85 RAB9A (0.58) PTGS2RAB9ANPC1MAPTTP53
SCHEMBL5835809 0.85 NPC1 (0.75) PTGS2RAB9ANPC1MAPTALDH1A1
SCHEMBL5834305 0.84 PTGS2 (0.55) PTGS2MAPTHPSEALDH1A1KDM4E
Dimethylamine SCHEMBL5834379 0.84 NPC1 (0.59) PTGS2RAB9ANPC1MAPTTP53
SCHEMBL5835987 0.84 ABCB1 (0.48) PTGS2RAB9ANPC1MAPTABCB1
SCHEMBL5834320 0.83 HPSE (0.56) PTGS2RAB9ANPC1MAPTTP53

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 4 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
EP-1483261-A1 PHTHALIMIDE CARBOXYLIC ACID DERIVATIVES Oxford GlycoSciences (UK) Ltd, Attn: Mary Gadsden (GB) 2004-12-08 EP disclosed
WO-2003074516-A1 PHTHALIMIDE CARBOXYLIC ACID DERIVATIVES OXFORD GLYCOSCIENCES (UK) LTD (GB) 2003-09-12 WO 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 PTGS2 1244/4885RAB9A 1209/4885NPC1 2102/4885

“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.