SCHEMBL5834871

SCHEMBL5834871

COC(=O)c1ccc2nc(-c3cccc(N)c3)oc2c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 12/20 0.62
MAPT P10636 11/20 0.62
SMN1; SMN2 Q16637 8/20 0.62
TP53 P04637 1/20 0.62
NPC1 O15118 11/20 0.62
KDM4E B2RXH2 8/20 0.62
ALDH1A1 P00352 7/20 0.62
HPGD P15428 6/20 0.62
HSD17B10 Q99714 2/20 0.60
NFKB1 P19838 2/20 0.60
NFKB2 Q00653 2/20 0.60
RELA Q04206 2/20 0.60
ATM Q13315 1/20 0.60
GPR119 Q8TDV5 2/20 0.57
KMT2A Q03164 5/20 0.52
MEN1 O00255 3/20 0.52
HDAC6 Q9UBN7 1/20 0.51
HSP90AA1 P07900 1/20 0.49
GAA P10253 2/20 0.49
CACNA1B Q00975 1/20 0.49

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
SCHEMBL6821226 0.91 MAPT (0.72) RAB9AMAPTSMN1; SMN2TP53NPC1
SCHEMBL29990488 0.86 NPC1 (0.65) RAB9AMAPTSMN1; SMN2TP53NPC1
SCHEMBL144958 0.86 MAPT (0.71) RAB9AMAPTSMN1; SMN2TP53NPC1
SCHEMBL28380322 0.86 NPC1 (0.65) RAB9AMAPTSMN1; SMN2TP53NPC1
SCHEMBL20897861 0.86 MAPT (0.60) RAB9AMAPTSMN1; SMN2TP53NPC1
SCHEMBL20898075 0.86 MAPT (0.60) RAB9AMAPTSMN1; SMN2TP53NPC1
SCHEMBL3956805 0.85 NPC1 (0.64) RAB9AMAPTSMN1; SMN2TP53NPC1
SCHEMBL20898270 0.83 RAB9A (0.57) RAB9AMAPTSMN1; SMN2TP53NPC1
SCHEMBL20897604 0.83 RAB9A (0.57) RAB9AMAPTSMN1; SMN2TP53NPC1
SCHEMBL26293557 0.83 MAPT (0.73) RAB9AMAPTSMN1; SMN2TP53NPC1

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 1209/4885MAPT 1342/4885SMN1; 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.