SCHEMBL5834652

SCHEMBL5834652

COC(=O)c1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)c(O)c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.70
MEN1 O00255 6/20 0.70
NPC1 O15118 2/20 0.64
RAB9A P51151 2/20 0.64
PYGL P06737 1/20 0.60
IRAK4 Q9NWZ3 1/20 0.60
PABPC1 P11940 1/20 0.58
DUSP3 P51452 1/20 0.58
PTPN5 P54829 1/20 0.58
PTPN11 Q06124 1/20 0.58
EIF4H Q15056 1/20 0.58
CTDSP1 Q9GZU7 1/20 0.58
MAPT P10636 4/20 0.57
ALDH1A1 P00352 3/20 0.57
SETD7 Q8WTS6 1/20 0.55
POLB P06746 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
CACNA1B Q00975 1/20 0.54
APBA1 Q02410 1/20 0.54
AKR1C4 P17516 1/20 0.53

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
SCHEMBL6779077 0.86 KMT2A (0.70) KMT2AMEN1NPC1RAB9APYGL
SCHEMBL31103641 0.83 MEN1 (0.76) KMT2AMEN1NPC1RAB9AIRAK4
SCHEMBL1572442 0.83 MEN1 (0.76) KMT2AMEN1NPC1RAB9AIRAK4
SCHEMBL27858189 0.82 MEN1 (0.74) KMT2AMEN1NPC1RAB9AIRAK4
Fluoride SCHEMBL28307367 0.82 MEN1 (0.74) KMT2AMEN1NPC1RAB9AIRAK4
Ammonia Solution, Strong SCHEMBL27704150 0.82 MEN1 (0.74) KMT2AMEN1NPC1RAB9AIRAK4
Methane SCHEMBL28043489 0.82 MEN1 (0.74) KMT2AMEN1NPC1RAB9AIRAK4
SCHEMBL5834186 0.81 KMT2A (0.63) KMT2AMEN1NPC1RAB9APYGL
SCHEMBL34468094 0.81 NPC1 (0.80) KMT2AMEN1NPC1RAB9APABPC1
SCHEMBL4094329 0.81 KMT2A (0.66) KMT2AMEN1NPC1RAB9AMAPT

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 5 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-2004046122-A2 BENZOXAZOLE, BENZTHIAZOLE AND BENZIMIDAZOLE ACID DERIVATIVES AND THEIR USE AS HEPARANASE INHIBITORS OXFORD GLYCOSCIENCES (UK) LTD (GB) 2004-06-03 WO 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 KMT2A 1011/4885MEN1 693/4885NPC1 2102/4885

“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.