SCHEMBL5834178

SCHEMBL5834178

COc1ccc(-c2nc3cc(-c4ccc(F)cc4)ccc3o2)cc1[N+](=O)[O-]

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.61
RAB9A P51151 3/20 0.61
HPSE Q9Y251 2/20 0.52
MAPT P10636 5/20 0.52
ALDH1A1 P00352 2/20 0.52
PDGFRB P09619 1/20 0.52
PDGFRA P16234 1/20 0.52
ALOX5 P09917 1/20 0.50
PTGS2 P35354 4/20 0.49
KDM4E B2RXH2 1/20 0.48
HPGD P15428 1/20 0.48
HSD17B10 Q99714 1/20 0.48
PPARG P37231 1/20 0.48
MMP2 P08253 1/20 0.46
MMP9 P14780 1/20 0.46
MMP8 P22894 1/20 0.46
MMP13 P45452 1/20 0.46
TP53 P04637 2/20 0.46
THRB P10828 1/20 0.46
UTRN P46939 3/20 0.46

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
SCHEMBL6686866 0.93 NPC1 (0.64) NPC1RAB9AMAPTALDH1A1PDGFRB
SCHEMBL5835007 0.93 NPC1 (0.60) NPC1RAB9AHPSEMAPTALDH1A1
SCHEMBL5834241 0.91 RAB9A (0.58) NPC1RAB9AHPSEMAPTALDH1A1
SCHEMBL5834528 0.90 NPC1 (0.60) NPC1RAB9AHPSEMAPTALDH1A1
SCHEMBL5834254 0.90 NPC1 (0.65) NPC1RAB9AHPSEMAPTALDH1A1
SCHEMBL5835562 0.90 NPC1 (0.62) NPC1RAB9AMAPTALDH1A1PDGFRB
SCHEMBL5835809 0.90 NPC1 (0.75) NPC1RAB9AMAPTALDH1A1PDGFRB
SCHEMBL5834268 0.89 NPC1 (0.61) NPC1RAB9AHPSEMAPTALDH1A1
SCHEMBL5834706 0.89 HPSE (0.57) NPC1RAB9AHPSEMAPTALDH1A1
SCHEMBL5834496 0.89 NPC1 (0.58) NPC1RAB9AHPSEMAPTALDH1A1

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 1209/4885HPSE 2626/4885

“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.