SCHEMBL17467709

SCHEMBL17467709

O=[N+]([O-])c1ccc(OP)c(I)c1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.46
LMNA P02545 3/20 0.46
HTT P42858 2/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
TSHR P16473 2/20 0.42
ALDH1A1 P00352 3/20 0.41
HSD17B10 Q99714 1/20 0.41
HSPB1 P04792 3/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MAPT P10636 1/20 0.41
PTPRC P08575 1/20 0.40
S100A4 P26447 1/20 0.40
PDE7A Q13946 1/20 0.40
CYP3A4 P08684 1/20 0.39

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
SCHEMBL23255814 0.85 HSPB1 (0.49) TDP1LMNAHTTMEN1KMT2A
SCHEMBL38657150 0.81 TDP1 (0.64) TDP1LMNAHTTMEN1KMT2A
SCHEMBL1027041 0.81 TDP1 (0.64) TDP1LMNAHTTMEN1KMT2A
SCHEMBL23255809 0.79 MEN1 (0.47) TDP1LMNAHTTMEN1KMT2A
SCHEMBL4962536 0.77 MAPT (0.55) TDP1LMNAHTTMEN1KMT2A
SCHEMBL28003798 0.77 MEN1 (0.46) TDP1LMNAHTTMEN1KMT2A
SCHEMBL3030993 0.76 LMNA (0.56) TDP1LMNAHTTMEN1KMT2A
SCHEMBL12573344 0.75 SNCA (0.47) TDP1LMNAHTTMEN1KMT2A
SCHEMBL1025344 0.74 PTGDR2 (0.64) TDP1LMNAHTTMEN1KMT2A
SCHEMBL5099603 0.74 MAPT (0.48) TDP1LMNAHTTMEN1KMT2A

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-9695179-B2 Methods and compositions for inhibition of bromodomain-containing proteins CONVERGENE LLC (US) 2017-07-04 US disclosed
US-20160024096-A1 METHODS AND COMPOSITIONS FOR INHIBITION OF BROMODOMAIN-CONTAINING PROTEINS CONVERGENE LLC (US) 2016-01-28 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-20160024096-A1 METHODS AND COMPOSITIONS FOR INHIBITION OF BROMODOMAIN-CONTAINING PROTEINS BRPF3, BRD3, BRDT TDP1 1357/4885LMNA 1402/4885HTT 894/4885

“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.