SCHEMBL5834847

SCHEMBL5834847

O=[N+]([O-])c1ccc(F)c(-c2nc3cc(Br)cc(F)c3o2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AMY1A P0DUB6 1/20 0.47
F7 P08709 1/20 0.42
F3 P13726 1/20 0.42
APEX1 P27695 1/20 0.41
TLR2 O60603 2/20 0.40
TLR1 Q15399 2/20 0.40
ALDH1A1 P00352 3/20 0.39
HIF1A Q16665 1/20 0.39
C1R P00736 1/20 0.39
RAB9A P51151 8/20 0.39
NPC1 O15118 7/20 0.39
MAPT P10636 5/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ESR1 P03372 1/20 0.38
ESR2 Q92731 1/20 0.38
MCL1 Q07820 1/20 0.38
ATM Q13315 1/20 0.38

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
SCHEMBL5834676 0.83 RAB9A (0.53) AMY1AF7F3ALDH1A1HIF1A
SCHEMBL5834739 0.82 RIPK1 (0.41) AMY1AF7F3ALDH1A1MAPT
SCHEMBL5834716 0.81 APEX1 (0.46) AMY1AF7F3APEX1TLR2
SCHEMBL5834492 0.81 APEX1 (0.51) AMY1AF7F3APEX1TLR2
SCHEMBL5834905 0.76 MMP2 (0.63) F7F3TLR2TLR1ALDH1A1
SCHEMBL5834772 0.75 RAB9A (0.55) F7F3APEX1TLR2TLR1
SCHEMBL5834641 0.75 RAB9A (0.55) AMY1AF7F3APEX1TLR2
SCHEMBL5834599 0.74 RAB9A (0.54) APEX1ALDH1A1RAB9ANPC1MAPT
SCHEMBL5834944 0.74 RAB9A (0.54) F7F3APEX1TLR2TLR1
SCHEMBL16087903 0.74 AMY1A (0.43) AMY1AF7F3APEX1TLR2

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 AMY1A 4740/4885F7 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.