SCHEMBL5834641

SCHEMBL5834641

O=[N+]([O-])c1ccc(F)c(-c2nc3ccc(F)cc3o2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.55
NPC1 O15118 7/20 0.55
SMN1; SMN2 Q16637 5/20 0.55
MAPT P10636 5/20 0.55
ALDH1A1 P00352 3/20 0.55
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
MMP2 P08253 3/20 0.50
MMP9 P14780 3/20 0.50
MMP8 P22894 3/20 0.50
MMP13 P45452 3/20 0.50
TLR2 O60603 2/20 0.47
TLR1 Q15399 2/20 0.47
LMNA P02545 1/20 0.47
CASP3 P42574 1/20 0.47
APEX1 P27695 1/20 0.45
MCL1 Q07820 1/20 0.44
ATM Q13315 1/20 0.44
F7 P08709 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
SCHEMBL5834772 0.90 RAB9A (0.55) RAB9ANPC1SMN1; SMN2MAPTALDH1A1
SCHEMBL5834180 0.88 MMP2 (0.67) RAB9ANPC1SMN1; SMN2MAPTALDH1A1
SCHEMBL5834905 0.86 MMP2 (0.63) RAB9ANPC1SMN1; SMN2MAPTALDH1A1
SCHEMBL5834944 0.84 RAB9A (0.54) RAB9ANPC1SMN1; SMN2MAPTALDH1A1
SCHEMBL5834599 0.81 RAB9A (0.54) RAB9ANPC1SMN1; SMN2MAPTALDH1A1
SCHEMBL5834716 0.81 APEX1 (0.46) RAB9ANPC1SMN1; SMN2MAPTALDH1A1
SCHEMBL5834245 0.80 SMN1; SMN2 (0.46) RAB9ANPC1SMN1; SMN2MAPTALDH1A1
SCHEMBL5834676 0.80 RAB9A (0.53) RAB9ANPC1SMN1; SMN2MAPTALDH1A1
SCHEMBL5834798 0.80 MMP2 (0.67) RAB9ANPC1SMN1; SMN2MAPTALDH1A1
SCHEMBL6681494 0.80 RAB9A (0.66) RAB9ANPC1SMN1; SMN2MAPTALDH1A1

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 RAB9A 1209/4885NPC1 2102/4885SMN1; SMN2 3147/4885

“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.