SCHEMBL5835015

SCHEMBL5835015

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

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.62
NPC1 O15118 11/20 0.58
RAB9A P51151 11/20 0.58
SMN1; SMN2 Q16637 10/20 0.58
KDM4E B2RXH2 9/20 0.58
ALDH1A1 P00352 8/20 0.58
HPGD P15428 8/20 0.58
HSD17B10 Q99714 8/20 0.58
TP53 P04637 6/20 0.58
NFKB1 P19838 4/20 0.58
NFKB2 Q00653 4/20 0.58
RELA Q04206 4/20 0.58
L3MBTL1 Q9Y468 3/20 0.58
GLA P06280 1/20 0.58
TDP1 Q9NUW8 1/20 0.58
MAPT P10636 6/20 0.57
PTGS2 P35354 2/20 0.53
THRB P10828 1/20 0.52
CASP3 P42574 2/20 0.50
SENP8 Q96LD8 2/20 0.50

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 0.89 NPC1 (0.59) ALOX5NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL5834595 0.89 ALOX5 (0.67) ALOX5NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL13171393 0.89 ALOX5 (0.78) ALOX5NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL5834333 0.88 NPC1 (0.65) ALOX5NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL5834198 0.87 KDM4E (0.56) ALOX5NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL5834204 0.87 HPSE (0.56) ALOX5NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL5834515 0.87 ALOX5 (0.70) ALOX5NPC1RAB9ASMN1; SMN2KDM4E
Dimethylamine SCHEMBL5834922 0.86 NPC1 (0.55) ALOX5NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL5834159 0.84 HPSE (0.58) ALOX5NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL5834326 0.84 UTRN (0.55) ALOX5NPC1RAB9ASMN1; SMN2KDM4E

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 1038/4885NPC1 2102/4885RAB9A 1209/4885

“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.