SCHEMBL346032

SCHEMBL346032

O=[N+]([O-])c1cc(CBr)ccc1O

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.65
MAPK1 P28482 2/20 0.56
ALDH1A1 P00352 2/20 0.56
TP53 P04637 1/20 0.56
HPGD P15428 1/20 0.56
TSHR P16473 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
GPR35 Q9HC97 1/20 0.56
MAPT P10636 4/20 0.55
NPSR1 Q6W5P4 1/20 0.55
L3MBTL1 Q9Y468 2/20 0.55
ALOX15 P16050 1/20 0.55
HSD17B10 Q99714 1/20 0.55
ALDH5A1 P51649 1/20 0.51
ABAT P80404 1/20 0.51
CA12 O43570 1/20 0.51
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
CA9 Q16790 1/20 0.51
KDM4E B2RXH2 3/20 0.50

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
SCHEMBL30279826 0.85 GPR35 (0.56) POLBMAPK1ALDH1A1TP53HPGD
SCHEMBL8063487 0.85 GPR35 (0.56) POLBMAPK1ALDH1A1TP53HPGD
SCHEMBL30477507 0.85 SNCA (0.62) POLBMAPK1ALDH1A1TP53HPGD
SCHEMBL11002820 0.85 MAPK1 (0.60) POLBMAPK1ALDH1A1TP53HPGD
SCHEMBL69585 0.85 SNCA (0.62) POLBMAPK1ALDH1A1TP53HPGD
SCHEMBL1736272 0.83 POLB (0.62) POLBMAPK1ALDH1A1TP53HPGD
SCHEMBL1117240 0.82 TSHR (0.50) POLBMAPK1ALDH1A1HPGDTSHR
SCHEMBL1025776 0.81 POLB (0.56) POLBMAPK1ALDH1A1TP53HPGD
SCHEMBL3529585 0.81 POLB (0.56) POLBMAPK1ALDH1A1TP53HPGD
SCHEMBL532173 0.81 POLB (0.56) POLBMAPK1ALDH1A1TP53HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2408789-A1 DIASTEREOISOMERS OF HYPOPHOSPHOROUS ACID DERIVATIVES Centre National De La Recherche Scientifique CNRS (FR) 2012-01-25 EP disclosed
US-20120016155-A1 DIASTEREOISOMERS OF HYPOPHOSPHOROUS ACID DERIVATIVES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2012-01-19 US disclosed
WO-2010106526-A1 DIASTEREOISOMERS OF HYPOPHOSPHOROUS ACID DERIVATIVES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2010-09-23 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-20120016155-A1 DIASTEREOISOMERS OF HYPOPHOSPHOROUS ACID DERIVATIVES PTH1R, P4HA1, FGF23 POLB 3962/4885MAPK1 2950/4885ALDH1A1 397/4885

“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.