SCHEMBL5835017

SCHEMBL5835017

O=C(Nc1cc(-c2ccccc2)ccc1O)c1ccc(Cl)c([N+](=O)[O-])c1

nearest known ligand 0.70

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.70
▸ MAPT P10636 1/20 0.70
▸ ABCC1 P33527 4/20 0.67
▸ ABCB1 P08183 4/20 0.67
▸ HDAC1 Q13547 6/20 0.61
▸ HDAC2 Q92769 1/20 0.61
▸ MEN1 O00255 2/20 0.60
▸ KMT2A Q03164 2/20 0.60
▸ HTT P42858 1/20 0.57
▸ KDM4E B2RXH2 1/20 0.56
▸ NPY1R P25929 1/20 0.54
▸ MC4R P32245 1/20 0.54
▸ NPY2R P49146 1/20 0.54
▸ L3MBTL1 Q9Y468 1/20 0.54
▸ KCNMA1 Q12791 1/20 0.54

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
SCHEMBL5834575 0.86 ABCB1 (0.67) ALDH1A1ABCC1ABCB1HDAC1HDAC2
SCHEMBL1455286 0.79 KMT2A (0.90) ALDH1A1MAPTMEN1KMT2AHTT
SCHEMBL13401489 0.79 ALDH1A1 (0.72) ALDH1A1MAPTMEN1KMT2AHTT
SCHEMBL1454743 0.77 MAPT (0.70) ALDH1A1MAPTMEN1KMT2AHTT
SCHEMBL5724398 0.77 HDAC1 (1.00) HDAC1HDAC2KDM4EKCNMA1
SCHEMBL9491267 0.77 CXCR2 (0.70) ALDH1A1MAPTABCC1ABCB1MEN1
SCHEMBL6748184 0.76 CXCR2 (0.58) ALDH1A1MAPTMEN1KMT2AHTT
SCHEMBL3619864 0.76 MAPT (0.61) ALDH1A1MAPTMEN1KMT2AHTT
SCHEMBL1897629 0.75 CRHBP (0.58) ALDH1A1MAPTMEN1KMT2AHTT
SCHEMBL8026664 0.75 MAPT (0.67) ALDH1A1MAPTMEN1KMT2AHTT

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 ALDH1A1 160/4885MAPT 1342/4885ABCC1 1160/4885

“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.

Send feedback