SCHEMBL6498374

SCHEMBL6498374

CCCNc1c(-c2nc3cc(Cl)cc(Cl)c3o2)cccc1[N+](=O)[O-]

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CETP P11597 2/20 0.39
CEPT1 Q9Y6K0 1/20 0.39
MAPT P10636 8/20 0.38
ALDH1A1 P00352 3/20 0.38
MAPK1 P28482 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
KLK3 P07288 1/20 0.38
PGK1 P00558 1/20 0.38
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
GAA P10253 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
F2 P00734 1/20 0.36
C1R P00736 1/20 0.36
PKM P14618 1/20 0.36
RIPK1 Q13546 1/20 0.35
APEX1 P27695 1/20 0.35
TP53 P04637 2/20 0.35
HSD11B1 P28845 1/20 0.34
CHRM2 P08172 1/20 0.33

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
SCHEMBL6507080 0.83 MAPT (0.38) CETPMAPTALDH1A1L3MBTL1MEN1
SCHEMBL5834875 0.79 RIPK1 (0.44) CETPMAPTALDH1A1MEN1KMT2A
SCHEMBL6498366 0.72 MAPT (0.37) CETPCEPT1MAPTALDH1A1L3MBTL1
SCHEMBL3631214 0.72 MAPT (0.60) MAPTALDH1A1MAPK1L3MBTL1MEN1
SCHEMBL5834480 0.71 MAPT (0.42) CETPMAPTALDH1A1MEN1KMT2A
SCHEMBL23609702 0.69 ALDH1A1 (0.54) MAPTALDH1A1MAPK1L3MBTL1MEN1
SCHEMBL5834492 0.68 APEX1 (0.51) MAPTALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL25787849 0.67 C1R (0.48) MAPTALDH1A1MAPK1L3MBTL1MEN1
SCHEMBL31532250 0.67 C1R (0.48) MAPTALDH1A1MAPK1L3MBTL1MEN1
SCHEMBL6681491 0.67 PDGFRB (0.50) CETPCEPT1MAPTALDH1A1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050203153-A1 Phthalimide carboxylic acid derivatives OXFORD GLYCOSCIENCE (UK) LTD. (GB) 2005-09-15 US 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 CETP 4194/4885CEPT1 2136/4885MAPT 1342/4885

“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.