SCHEMBL5834338

SCHEMBL5834338

Nc1ccc(N2CCOCC2)c(-c2nc3cc(-c4ccccc4)ccc3o2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 9/20 0.51
▸ PIK3CD O00329 1/20 0.51
▸ PIK3CB P42338 1/20 0.51
▸ PIK3CG P48736 1/20 0.51
▸ PRKDC P78527 3/20 0.47
▸ MAPT P10636 4/20 0.46
▸ TP53 P04637 3/20 0.46
▸ SMN1; SMN2 Q16637 3/20 0.46
▸ NPC1 O15118 3/20 0.46
▸ RAB9A P51151 3/20 0.46
▸ HSD17B10 Q99714 2/20 0.46
▸ NCF1 P14598 1/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ TSHR P16473 1/20 0.46
▸ GFER P55789 1/20 0.45
▸ RXFP1 Q9HBX9 1/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ HPGD P15428 1/20 0.45
▸ KMT2A Q03164 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
SCHEMBL5834651 0.83 MAPT (0.57) PIK3CAMAPTTP53SMN1; SMN2NPC1
SCHEMBL13066007 0.80 RAB9A (0.57) PIK3CBMAPTTP53SMN1; SMN2NPC1
SCHEMBL2577729 0.77 PRKDC (0.57) PIK3CAPIK3CDPIK3CBPIK3CGPRKDC
SCHEMBL21788597 0.77 SMN1; SMN2 (0.59) PIK3CAPRKDCMAPTSMN1; SMN2NPC1
SCHEMBL5835563 0.76 HPSE (0.69) —
SCHEMBL2244236 0.76 RAB9A (0.67) PIK3CAPIK3CDPIK3CBPIK3CGMAPT
SCHEMBL4216490 0.76 RAB9A (0.55) PIK3CBMAPTTP53SMN1; SMN2NPC1
SCHEMBL5371887 0.75 NPC1 (0.73) PIK3CBMAPTTP53SMN1; SMN2NPC1
SCHEMBL5834196 0.74 RAB9A (0.53) MAPTTP53SMN1; SMN2NPC1RAB9A
SCHEMBL5834311 0.74 MAPT (0.53) MAPTTP53SMN1; SMN2NPC1RAB9A

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 PIK3CA 282/4885PIK3CD 1609/4885PIK3CB 1163/4885

“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.

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