SCHEMBL5834716

SCHEMBL5834716

O=[N+]([O-])c1ccc(F)c(-c2nc3ccc(F)c(F)c3o2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APEX1 P27695 1/20 0.46
F7 P08709 1/20 0.44
F3 P13726 1/20 0.44
AMY1A P0DUB6 1/20 0.44
RAB9A P51151 7/20 0.44
NPC1 O15118 6/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
MAPT P10636 3/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
ALDH1A1 P00352 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
TLR2 O60603 2/20 0.42
TLR1 Q15399 2/20 0.42
HIF1A Q16665 1/20 0.42
C1R P00736 1/20 0.41
MMP2 P08253 1/20 0.40
MMP9 P14780 1/20 0.40
MMP8 P22894 1/20 0.40
MMP13 P45452 1/20 0.40

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
SCHEMBL5835365 0.83 RIPK1 (0.44) APEX1F7F3RAB9ANPC1
SCHEMBL5834847 0.81 AMY1A (0.47) APEX1F7F3AMY1ARAB9A
SCHEMBL5834492 0.81 APEX1 (0.51) APEX1F7F3AMY1ARAB9A
SCHEMBL5834641 0.81 RAB9A (0.55) APEX1F7F3AMY1ARAB9A
SCHEMBL5834905 0.79 MMP2 (0.63) F7F3RAB9ANPC1SMN1; SMN2
SCHEMBL5834180 0.79 MMP2 (0.67) APEX1RAB9ANPC1SMN1; SMN2MAPT
SCHEMBL5834772 0.78 RAB9A (0.55) APEX1F7F3RAB9ANPC1
SCHEMBL5834944 0.77 RAB9A (0.54) APEX1F7F3RAB9ANPC1
SCHEMBL5834599 0.77 RAB9A (0.54) APEX1RAB9ANPC1SMN1; SMN2MAPT
SCHEMBL5834676 0.76 RAB9A (0.53) F7F3AMY1ARAB9ANPC1

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 APEX1 2470/4885F7 1555/4885F3 683/4885

“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.