SCHEMBL3962448

SCHEMBL3962448

O=C(O)c1ccc2nc(-c3cccc([N+](=O)[O-])c3)oc2c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.65
NPC1 O15118 7/20 0.65
SMN1; SMN2 Q16637 7/20 0.65
MAPT P10636 6/20 0.65
MEN1 O00255 3/20 0.65
KMT2A Q03164 3/20 0.65
ALDH1A1 P00352 3/20 0.65
L3MBTL1 Q9Y468 1/20 0.65
LMNA P02545 1/20 0.58
CASP3 P42574 1/20 0.58
TTR P02766 1/20 0.57
ALB P02768 1/20 0.57
MAOA P21397 1/20 0.57
CNR1 P21554 1/20 0.57
DRD1 P21728 1/20 0.57
OPRD1 P41143 1/20 0.57
PDE4D Q08499 1/20 0.57
PDE3A Q14432 1/20 0.57
ELANE P08246 1/20 0.57
TP53 P04637 2/20 0.52

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
SCHEMBL13767161 0.91 RAB9A (0.67) RAB9ANPC1SMN1; SMN2MAPTMEN1
SCHEMBL5834773 0.86 RAB9A (0.63) RAB9ANPC1SMN1; SMN2MAPTMEN1
SCHEMBL3137128 0.86 RAB9A (0.82) RAB9ANPC1SMN1; SMN2MAPTMEN1
SCHEMBL1675377 0.85 TTR (0.68) RAB9ANPC1SMN1; SMN2MAPTMEN1
SCHEMBL121966 0.82 TTR (0.72) RAB9ANPC1SMN1; SMN2MAPTMEN1
SCHEMBL29784233 0.82 TTR (0.72) RAB9ANPC1SMN1; SMN2MAPTMEN1
SCHEMBL4053590 0.81 RAB9A (0.66) RAB9ANPC1SMN1; SMN2MAPTMEN1
SCHEMBL6681494 0.81 RAB9A (0.66) RAB9ANPC1SMN1; SMN2MAPTMEN1
SCHEMBL2491306 0.81 MMP2 (0.72) RAB9ANPC1SMN1; SMN2MAPTMEN1
SCHEMBL3956805 0.80 NPC1 (0.64) RAB9ANPC1SMN1; SMN2MAPTMEN1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009080788-A2 ANTIBACTERIAL AGENTS UNIVERSITE CATHOLIQUE DE LOUVAIN (BE) 2009-07-02 WO disclosed
WO-2009080788-A2 ANTIBACTERIAL AGENTS UNIVERSITE CATHOLIQUE DE LOUVAIN (BE) 2009-07-02 WO disclosed
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.