SCHEMBL5834359

SCHEMBL5834359

COc1ccc(-c2nc3cc(-c4ccc(F)cc4)ccc3o2)cc1N

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.55
HPSE Q9Y251 7/20 0.54
NPC1 O15118 4/20 0.51
RAB9A P51151 3/20 0.50
MAPT P10636 3/20 0.50
KDM4E B2RXH2 2/20 0.50
ALDH1A1 P00352 2/20 0.50
HPGD P15428 2/20 0.50
HSD17B10 Q99714 2/20 0.50
TP53 P04637 1/20 0.48
THRB P10828 1/20 0.48
UTRN P46939 4/20 0.47
HTR2B P41595 1/20 0.47
PTGS2 P35354 1/20 0.45
GFER P55789 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45
MAPK1 P28482 1/20 0.45
HDAC3 O15379 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC1 Q13547 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
SCHEMBL6681066 0.93 ALOX5 (0.57) ALOX5HPSENPC1RAB9AMAPT
SCHEMBL5834948 0.92 HPSE (0.55) ALOX5HPSENPC1RAB9AMAPT
SCHEMBL5834198 0.90 KDM4E (0.56) ALOX5HPSENPC1RAB9AMAPT
SCHEMBL5834164 0.89 HPSE (0.55) ALOX5HPSENPC1RAB9AMAPT
SCHEMBL5834409 0.89 ALOX5 (0.56) ALOX5HPSENPC1RAB9AMAPT
SCHEMBL5834595 0.89 ALOX5 (0.67) ALOX5HPSENPC1RAB9AMAPT
SCHEMBL5834493 0.89 NPC1 (0.59) ALOX5HPSENPC1RAB9AMAPT
SCHEMBL5834515 0.89 ALOX5 (0.70) ALOX5NPC1RAB9AMAPTKDM4E
SCHEMBL5834837 0.88 ALOX5 (0.55) ALOX5HPSENPC1RAB9AMAPT
SCHEMBL5834312 0.88 HPSE (0.59) ALOX5HPSENPC1RAB9AMAPT

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 ALOX5 1038/4885HPSE 2626/4885NPC1 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.