SCHEMBL1097455

SCHEMBL1097455

O=[N+]([O-])c1ccc(OP(=S)(Cl)Oc2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.64
HSD17B10 Q99714 3/20 0.64
MAPK1 P28482 3/20 0.64
CYP3A4 P08684 2/20 0.64
LMNA P02545 1/20 0.64
TP53 P04637 1/20 0.64
THRB P10828 1/20 0.64
SMN1; SMN2 Q16637 1/20 0.64
CA1 P00915 3/20 0.59
CA2 P00918 3/20 0.59
CES2 O00748 1/20 0.59
CES1 P23141 1/20 0.59
TSHR P16473 1/20 0.58
ACHE P22303 2/20 0.51
BCHE P06276 1/20 0.51
HSPB1 P04792 1/20 0.47
GAA P10253 1/20 0.46
CA9 Q16790 1/20 0.46
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44

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
SCHEMBL8877085 0.89 ALDH1A1 (0.64) ALDH1A1HSD17B10MAPK1CYP3A4LMNA
SCHEMBL11671060 0.85 MAPK1 (0.73) ALDH1A1HSD17B10MAPK1CYP3A4LMNA
SCHEMBL5164301 0.85 CA1 (0.66) ALDH1A1HSD17B10MAPK1CYP3A4LMNA
SCHEMBL8837359 0.84 ALDH1A1 (0.79) ALDH1A1HSD17B10MAPK1CYP3A4LMNA
SCHEMBL6049724 0.83 CA1 (0.62) ALDH1A1HSD17B10MAPK1CYP3A4LMNA
SCHEMBL972717 0.82 CA1 (0.67) ALDH1A1HSD17B10MAPK1CYP3A4LMNA
SCHEMBL851431 0.82 CA1 (0.67) ALDH1A1HSD17B10MAPK1CYP3A4LMNA
SCHEMBL16859705 0.81 ALDH1A1 (0.70) ALDH1A1HSD17B10MAPK1CYP3A4LMNA
SCHEMBL18730273 0.81 CA1 (0.65) ALDH1A1HSD17B10MAPK1CYP3A4LMNA
SCHEMBL955844 0.81 CA1 (0.70) ALDH1A1HSD17B10MAPK1CYP3A4LMNA

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
EP-1765844-B1 PURINE NUCLEOTIDE DERIVATIVES SOLVELL AS (NO) 2014-07-30 EP disclosed
US-8153609-B2 Purine nucleotide derivatives LAURAS AS (NO) 2012-04-10 US disclosed
US-20080293665-A1 Purine Nucleotide Derivatives LAURAS AS (NO) 2008-11-27 US disclosed
WO-1989007108-A1 PROCESS FOR PRODUCING NUCLEOSIDE-3',5'-CYCLOPHOSPHATES AND NUCLEOSIDE-3',5'-CYCLOTHIOPHOSPHATES JASTORFF BERND (DE) 1989-08-10 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-20080293665-A1 Purine Nucleotide Derivatives CGAS, PDE8A, PDE7A ALDH1A1 3225/4885HSD17B10 4521/4885MAPK1 1620/4885

“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.