SCHEMBL5834773

SCHEMBL5834773

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

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 0.63
SMN1; SMN2 Q16637 8/20 0.63
NPC1 O15118 8/20 0.63
LMNA P02545 1/20 0.63
CASP3 P42574 1/20 0.63
MAPT P10636 6/20 0.57
MEN1 O00255 4/20 0.57
KMT2A Q03164 4/20 0.57
ALDH1A1 P00352 3/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
KDM4E B2RXH2 2/20 0.56
HPGD P15428 2/20 0.56
HSD17B10 Q99714 2/20 0.56
NFKB1 P19838 1/20 0.56
NFKB2 Q00653 1/20 0.56
RELA Q04206 1/20 0.56
ATM Q13315 1/20 0.56
GPR119 Q8TDV5 1/20 0.53
TP53 P04637 1/20 0.52
PTGS2 P35354 1/20 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
SCHEMBL6818506 0.91 RAB9A (0.61) RAB9ASMN1; SMN2NPC1LMNACASP3
SCHEMBL3962448 0.86 RAB9A (0.65) RAB9ASMN1; SMN2NPC1LMNACASP3
SCHEMBL144958 0.82 MAPT (0.71) RAB9ASMN1; SMN2NPC1CASP3MAPT
SCHEMBL3137128 0.82 RAB9A (0.82) RAB9ASMN1; SMN2NPC1LMNACASP3
SCHEMBL5834871 0.82 RAB9A (0.62) RAB9ASMN1; SMN2NPC1CASP3MAPT
SCHEMBL20898075 0.82 MAPT (0.60) RAB9ASMN1; SMN2NPC1MAPTKMT2A
SCHEMBL20897861 0.82 MAPT (0.60) RAB9ASMN1; SMN2NPC1LMNAMAPT
SCHEMBL1505273 0.80 MAPT (0.66) RAB9ASMN1; SMN2NPC1LMNAMAPT
SCHEMBL20898270 0.79 RAB9A (0.57) RAB9ASMN1; SMN2NPC1CASP3MAPT
SCHEMBL20897604 0.79 RAB9A (0.57) RAB9ASMN1; SMN2NPC1LMNAMAPT

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

“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.