SCHEMBL5834743

SCHEMBL5834743

COc1ccc(-c2nc3cc(-c4cccc(Cl)c4Cl)ccc3o2)cc1[N+](=O)[O-]

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.55
RAB9A P51151 3/20 0.55
PTGS2 P35354 6/20 0.48
MAPT P10636 6/20 0.48
ALDH1A1 P00352 1/20 0.47
TP53 P04637 3/20 0.47
PPARG P37231 1/20 0.46
UTRN P46939 1/20 0.46
ALOX5 P09917 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
THRB P10828 1/20 0.44
PDGFRB P09619 1/20 0.44
PDGFRA P16234 1/20 0.44

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
SCHEMBL5834631 0.87 NPC1 (0.60) NPC1RAB9APTGS2MAPTALDH1A1
SCHEMBL5834540 0.85 NPC1 (0.56) NPC1RAB9APTGS2MAPTALDH1A1
SCHEMBL5834747 0.85 RAB9A (0.58) NPC1RAB9APTGS2MAPTALDH1A1
SCHEMBL5834655 0.85 NPC1 (0.60) NPC1RAB9APTGS2MAPTALDH1A1
SCHEMBL5834268 0.84 NPC1 (0.61) NPC1RAB9APTGS2MAPTALDH1A1
SCHEMBL6681482 0.84 NPC1 (0.64) NPC1RAB9APTGS2MAPTALDH1A1
SCHEMBL5834155 0.83 NPC1 (0.58) NPC1RAB9APTGS2MAPTALDH1A1
SCHEMBL5834845 0.83 PTGS2 (0.53) NPC1RAB9APTGS2MAPTALDH1A1
SCHEMBL5835809 0.82 NPC1 (0.75) NPC1RAB9APTGS2MAPTALDH1A1
SCHEMBL5835099 0.82 NPC1 (0.57) NPC1RAB9APTGS2MAPTALDH1A1

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 NPC1 2102/4885RAB9A 1209/4885PTGS2 1244/4885

“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.