SCHEMBL5834793

SCHEMBL5834793

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

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.57
KMT2A Q03164 3/20 0.57
ELANE P08246 1/20 0.57
MAPT P10636 7/20 0.52
ALDH1A1 P00352 4/20 0.52
KDM4E B2RXH2 1/20 0.52
SMN1; SMN2 Q16637 4/20 0.50
RAB9A P51151 4/20 0.50
NPC1 O15118 3/20 0.50
PPARG P37231 1/20 0.50
LMNA P02545 1/20 0.50
CASP3 P42574 1/20 0.50
TP53 P04637 1/20 0.49
ESR2 Q92731 1/20 0.48
DHODH Q02127 1/20 0.48
CETP P11597 1/20 0.48
SLC6A4 P31645 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
PTGES O14684 1/20 0.47
POLB P06746 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
SCHEMBL5834375 0.87 MEN1 (0.66) MEN1KMT2AELANEMAPTALDH1A1
SCHEMBL205254 0.82 CETP (0.54) MAPTALDH1A1KDM4ESMN1; SMN2RAB9A
SCHEMBL9126988 0.82 DHODH (0.70) KMT2AELANEMAPTALDH1A1KDM4E
SCHEMBL10695473 0.80 MAPT (0.52) MEN1KMT2AMAPTALDH1A1KDM4E
SCHEMBL205349 0.80 DHODH (0.53) MEN1KMT2AMAPTALDH1A1KDM4E
SCHEMBL5834773 0.79 RAB9A (0.63) MEN1KMT2AELANEMAPTALDH1A1
SCHEMBL6818506 0.79 RAB9A (0.61) MEN1KMT2AMAPTALDH1A1KDM4E
SCHEMBL205253 0.79 CYP4F2 (0.51) MEN1KMT2AMAPTALDH1A1KDM4E
SCHEMBL17929365 0.78 TOP2A (0.72) MEN1KMT2AELANEMAPTALDH1A1
SCHEMBL11815384 0.78 NPC1 (0.63) MEN1KMT2AMAPTALDH1A1KDM4E

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.