SCHEMBL5834857

SCHEMBL5834857

Cc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2F)c(O)c1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.74
MAPT P10636 5/20 0.74
MEN1 O00255 4/20 0.61
SMN1; SMN2 Q16637 4/20 0.61
GAA P10253 2/20 0.61
KCNMA1 Q12791 6/20 0.58
POLB P06746 1/20 0.56
RORC P51449 2/20 0.52
LMNA P02545 3/20 0.51
HTT P42858 3/20 0.51
RAB9A P51151 2/20 0.51
AURKA O14965 1/20 0.51
NPC1 O15118 1/20 0.51
PDPK1 O15530 1/20 0.51
JAK2 O60674 1/20 0.51
GMNN O75496 1/20 0.51
ALDH1A1 P00352 1/20 0.51
EGFR P00533 1/20 0.51
TP53 P04637 1/20 0.51
CYP1A2 P05177 1/20 0.51

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
SCHEMBL5834665 0.90 KMT2A (0.74) KMT2AMAPTMEN1SMN1; SMN2GAA
SCHEMBL5834250 0.88 KCNMA1 (0.61) KMT2AMAPTMEN1SMN1; SMN2GAA
SCHEMBL8057912 0.85 KMT2A (0.64) KMT2AMAPTMEN1SMN1; SMN2GAA
SCHEMBL2112525 0.85 KMT2A (1.00) KMT2AMAPTMEN1SMN1; SMN2GAA
SCHEMBL5834318 0.81 RORC (0.54) KMT2AMAPTMEN1SMN1; SMN2GAA
SCHEMBL7372653 0.81 MAPT (0.67) KMT2AMAPTMEN1SMN1; SMN2GAA
SCHEMBL5834638 0.80 KCNMA1 (0.61) KMT2AMAPTMEN1SMN1; SMN2GAA
SCHEMBL18146183 0.80 MAPT (0.63) KMT2AMAPTMEN1SMN1; SMN2KCNMA1
SCHEMBL19442261 0.80 KMT2A (0.77) KMT2AMAPTMEN1SMN1; SMN2GAA
SCHEMBL5835259 0.79 KMT2A (0.65) KMT2AMAPTMEN1SMN1; SMN2GAA

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 KMT2A 1011/4885MAPT 1342/4885MEN1 693/4885

“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.