SCHEMBL5835003

SCHEMBL5835003

CCCNc1ccc([N+](=O)[O-])cc1-c1nc2cc(-c3ccc(F)c(Cl)c3)ccc2o1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HPSE Q9Y251 10/20 0.59
PPARG P37231 5/20 0.46
CYP2C8 P10632 1/20 0.44
NPC1 O15118 4/20 0.43
RAB9A P51151 4/20 0.43
MAPT P10636 2/20 0.43
ALDH1A1 P00352 1/20 0.43
MMP2 P08253 1/20 0.43
MMP9 P14780 1/20 0.43
MMP8 P22894 1/20 0.43
MMP13 P45452 1/20 0.43
MCL1 Q07820 1/20 0.43
ATM Q13315 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL5834594 0.91 HPSE (0.57) HPSEPPARGCYP2C8NPC1RAB9A
SCHEMBL5834135 0.89 HPSE (0.57) HPSEPPARGNPC1RAB9AMAPT
SCHEMBL5834755 0.89 HPSE (0.59) HPSEPPARGCYP2C8NPC1RAB9A
SCHEMBL5834729 0.89 HPSE (0.48) HPSEPPARGCYP2C8NPC1RAB9A
SCHEMBL5834580 0.88 HPSE (0.58) HPSEPPARGNPC1RAB9AMAPT
SCHEMBL5834537 0.87 HPSE (0.48) HPSEPPARGCYP2C8NPC1RAB9A
SCHEMBL5834856 0.86 HPSE (0.57) HPSENPC1RAB9AMAPTALDH1A1
SCHEMBL6641370 0.85 HPSE (0.62) HPSENPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL5834923 0.85 HPSE (0.48) HPSEPPARGNPC1RAB9AMAPT
SCHEMBL5834872 0.85 HPSE (0.59) HPSEPPARGNPC1RAB9AMAPT

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 2626/4885PPARG 265/4885CYP2C8 579/4885

“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.