SCHEMBL6041199

SCHEMBL6041199

O=[N+]([O-])c1cc([N+](=O)O)ccc1OP(=O)([O-])O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
MEN1 O00255 6/20 0.41
KMT2A Q03164 6/20 0.41
ALDH1A1 P00352 5/20 0.41
MAPT P10636 5/20 0.41
HSPB1 P04792 3/20 0.41
TTR P02766 3/20 0.40
GPR35 Q9HC97 2/20 0.40
MAPK1 P28482 2/20 0.40
TP53 P04637 1/20 0.40
HPGD P15428 1/20 0.40
TSHR P16473 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TDP1 Q9NUW8 1/20 0.38
LMNA P02545 2/20 0.37
POLB P06746 1/20 0.37
HIF1A Q16665 1/20 0.37

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
SCHEMBL16859704 0.83 MEN1 (0.38) CA1CA2CES2CES1MEN1
SCHEMBL4535384 0.80 PDE7A (0.38) CA1CA2CES2CES1MEN1
SCHEMBL6041202 0.80 CA1 (0.57) CA1CA2CES2CES1MEN1
SCHEMBL6839971 0.80 CES2 (0.57) CA1CA2CES2CES1MEN1
SCHEMBL6041195 0.80 CA1 (0.57) CA1CA2CES2CES1MEN1
SCHEMBL6839972 0.80 CES2 (0.57) CA1CA2CES2CES1MEN1
SCHEMBL6041193 0.76 ALDH1A1 (0.54) MEN1KMT2AALDH1A1MAPTHSPB1
SCHEMBL9655472 0.74 ALDH1A1 (0.42) MEN1KMT2AALDH1A1MAPTHSPB1
SCHEMBL19834569 0.74 ALDH1A1 (0.49) CA1CA2CES2CES1MEN1
Potassium Ion SCHEMBL28734908 0.73 PDE7A (0.50) CA1CA2CES2CES1MEN1

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
WO-2024036134-A2 DEFENSIN PROTEINS FOR INFECTION ASSESSMENT SRI INTERNATIONAL (US) 2024-02-15 WO disclosed
US-20060234306-A1 Assay method GENENTECH, INC. (US) 2006-10-19 US disclosed
US-20050233387-A1 Assay method GENENTECH, INC. (US) 2005-10-20 US disclosed
US-20030129675-A1 Assay method GENENTECH, INC. 2003-07-10 US disclosed
US-20020004247-A1 Assay method GENENTECH, INC. 2002-01-10 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 (3 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-20060234306-A1 Assay method ITGB4, ITGA4, ITGAV CA1 4109/4885CA2 4680/4885CES2 2454/4885
US-20050233387-A1 Assay method ITGB4, ITGA4, ITGAV CA1 4109/4885CA2 4680/4885CES2 2454/4885
US-20030129675-A1 Assay method ITGB4, ITGA4, ITGB6 CA1 3849/4885CA2 4554/4885CES2 2964/4885

“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.