SCHEMBL5834159

SCHEMBL5834159

COc1ccc(-c2nc3cc(-c4cccc(C#N)c4)ccc3o2)cc1N

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPSE Q9Y251 4/20 0.58
ALOX5 P09917 1/20 0.49
NPC1 O15118 6/20 0.48
RAB9A P51151 5/20 0.46
KDM4E B2RXH2 4/20 0.46
TP53 P04637 3/20 0.46
ALDH1A1 P00352 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
NFKB1 P19838 2/20 0.46
NFKB2 Q00653 2/20 0.46
RELA Q04206 2/20 0.46
HPGD P15428 2/20 0.46
HSD17B10 Q99714 2/20 0.46
GLA P06280 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
RXFP1 Q9HBX9 1/20 0.45
GPR119 Q8TDV5 1/20 0.45
MAPT P10636 3/20 0.45
HSPD1 P10809 1/20 0.45

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
SCHEMBL5834493 0.85 NPC1 (0.59) HPSEALOX5NPC1RAB9AKDM4E
SCHEMBL5835015 0.84 ALOX5 (0.62) HPSEALOX5NPC1RAB9AKDM4E
SCHEMBL5834333 0.84 NPC1 (0.65) HPSEALOX5NPC1RAB9AKDM4E
SCHEMBL5834198 0.84 KDM4E (0.56) HPSEALOX5NPC1RAB9AKDM4E
SCHEMBL5834204 0.84 HPSE (0.56) HPSEALOX5NPC1RAB9AKDM4E
SCHEMBL5834320 0.83 HPSE (0.56) HPSEALOX5NPC1RAB9AKDM4E
SCHEMBL5834515 0.83 ALOX5 (0.70) ALOX5NPC1RAB9AKDM4ETP53
Dimethylamine SCHEMBL5834922 0.82 NPC1 (0.55) HPSEALOX5NPC1RAB9AKDM4E
SCHEMBL5834326 0.81 UTRN (0.55) HPSEALOX5NPC1RAB9AKDM4E
SCHEMBL5834409 0.81 ALOX5 (0.56) HPSEALOX5NPC1RAB9AKDM4E

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 HPSE 2626/4885ALOX5 1038/4885NPC1 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.