SCHEMBL5834375

SCHEMBL5834375

O=C(O)c1cccc2nc(-c3cccc([N+](=O)[O-])c3)oc12

nearest known ligand 0.66

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.66
KMT2A Q03164 4/20 0.66
ELANE P08246 1/20 0.66
DHODH Q02127 1/20 0.64
MAPT P10636 9/20 0.61
ALDH1A1 P00352 4/20 0.61
TDP1 Q9NUW8 2/20 0.58
RAB9A P51151 6/20 0.54
NPC1 O15118 5/20 0.54
SMN1; SMN2 Q16637 4/20 0.54
L3MBTL1 Q9Y468 2/20 0.51
THRB P10828 1/20 0.48
PSMB8 P28062 1/20 0.48
CSNK2A1 P68400 1/20 0.47
GUSB P08236 1/20 0.47
EIF4A1 P60842 1/20 0.47

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
SCHEMBL5834793 0.87 MEN1 (0.57) MEN1KMT2AELANEDHODHMAPT
SCHEMBL21776897 0.87 DHODH (0.71) MEN1KMT2AELANEDHODHMAPT
SCHEMBL121400 0.81 DHODH (0.94) MEN1KMT2AELANEDHODHALDH1A1
SCHEMBL205819 0.80 TDP1 (0.55) MEN1KMT2AELANEMAPTALDH1A1
SCHEMBL17360636 0.80 RAB9A (0.60) MEN1KMT2AELANEDHODHMAPT
SCHEMBL29633854 0.80 KMT2A (1.00) MEN1KMT2AELANEMAPTALDH1A1
SCHEMBL692321 0.80 KMT2A (1.00) MEN1KMT2AELANEMAPTALDH1A1
SCHEMBL121323 0.79 DHODH (0.70) MEN1KMT2ADHODHMAPTALDH1A1
SCHEMBL5834396 0.79 DHODH (0.70) MEN1KMT2ADHODHMAPTALDH1A1
SCHEMBL121632 0.79 DHODH (0.70) MEN1KMT2ADHODHMAPTRAB9A

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 MEN1 693/4885KMT2A 1011/4885ELANE 2883/4885

“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.