SCHEMBL5839346

SCHEMBL5839346

O=[N+]([O-])c1ccc(F)c(OCl)c1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.56
HIF1A Q16665 1/20 0.56
HSPB1 P04792 6/20 0.50
HTT P42858 2/20 0.47
HSD17B10 Q99714 1/20 0.46
TDP1 Q9NUW8 3/20 0.44
MEN1 O00255 1/20 0.42
MAPT P10636 1/20 0.42
KMT2A Q03164 1/20 0.42
TSHR P16473 2/20 0.42
LMNA P02545 1/20 0.42
TXNRD1 Q16881 1/20 0.41
TXNRD3 Q86VQ6 1/20 0.41
TXNRD2 Q9NNW7 1/20 0.41
VCAM1 P19320 1/20 0.41
PTPRC P08575 1/20 0.40
S100A4 P26447 1/20 0.40

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
SCHEMBL29829398 0.81 HTT (0.66) ALDH1A1HIF1AHSPB1HTTTDP1
SCHEMBL122944 0.81 HTT (0.66) ALDH1A1HIF1AHSPB1HTTTDP1
SCHEMBL16177443 0.80 ALDH1A1 (0.55) ALDH1A1HIF1AHSPB1HTTHSD17B10
SCHEMBL25796968 0.79 ALDH1A1 (0.53) ALDH1A1HIF1AHSPB1HTTHSD17B10
SCHEMBL29739501 0.79 ALDH1A1 (0.53) ALDH1A1HIF1AHSPB1HTTTDP1
SCHEMBL3639867 0.79 ALDH1A1 (0.53) ALDH1A1HIF1AHSPB1HTTTDP1
SCHEMBL31506375 0.77 CYP19A1 (0.57) ALDH1A1HIF1AHSPB1HTTTDP1
SCHEMBL25797159 0.77 CYP19A1 (0.57) ALDH1A1HIF1AHSPB1HTTTDP1
SCHEMBL4402520 0.77 ALDH1A1 (0.51) ALDH1A1HIF1AHSPB1HTTHSD17B10
SCHEMBL3643810 0.77 HTT (0.54) ALDH1A1HIF1AHSPB1HTTMEN1

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 2 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

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 ALDH1A1 160/4885HIF1A 113/4885HSPB1 4051/4885

“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.