SCHEMBL7514906

SCHEMBL7514906

O=[N+]([O-])c1c(O)c(O)cc2c1/C(=N/O)CCC2

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 1/20 0.33
GRIN3B O60391 1/20 0.33
GRIN1 Q05586 1/20 0.33
GRIN2A Q12879 1/20 0.33
GRIN2B Q13224 1/20 0.33
GRIN2C Q14957 1/20 0.33
GRIN3A Q8TCU5 1/20 0.33
KMT2A Q03164 3/20 0.32
MEN1 O00255 2/20 0.32
POLB P06746 1/20 0.32
MAPT P10636 4/20 0.32
ALDH1A1 P00352 2/20 0.32
HPGD P15428 2/20 0.32
CYP1A2 P05177 2/20 0.32
KDM4E B2RXH2 1/20 0.32
TTR P02766 1/20 0.32
CYP2C9 P11712 1/20 0.32
ALOX15 P16050 1/20 0.32
ALOX12 P18054 1/20 0.32
MAPK1 P28482 1/20 0.32

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
SCHEMBL7514913 1.00 GRIN2D (0.33) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL7436428 0.91 TTR (0.33) KMT2AMEN1MAPTALDH1A1HPGD
SCHEMBL7436432 0.91 TTR (0.33) KMT2AMEN1MAPTALDH1A1HPGD
SCHEMBL7428171 0.81 KMT2A (0.39) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL7432592 0.78 KMT2A (0.39) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL7511239 0.77 MAPT (0.48) KMT2AMEN1POLBMAPTALDH1A1
SCHEMBL7511237 0.77 MAPT (0.48) KMT2AMEN1POLBMAPTALDH1A1
SCHEMBL7432202 0.74 KMT2A (0.36) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL7559647 0.69 MAPT (0.47) KMT2AMEN1POLBMAPTALDH1A1
SCHEMBL7559643 0.69 MAPT (0.47) KMT2AMEN1POLBMAPTALDH1A1

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-20020037931-A1 Substituted nitrated catechols, their use in the treatment of some central and peripheral nervous system disorders and pharmaceutical compositions containing them PORTELA & C.A., S.A. (PT) 2002-03-28 US disclosed
EP-1167341-A1 Substituted nitrated catechols, their use in the treatment of some central and peripheral nervous system disorders and pharmaceutical compositions containing them Portela & Ca., S.A. (PT) 2002-01-02 EP 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-20020037931-A1 Substituted nitrated catechols, their use in the treatment of some central and peripheral nervous system disorders and pharmaceutical compositions containing them SLC6A2, COMT, SLC6A3 GRIN2D 506/4885GRIN3B 248/4885GRIN1 149/4885

“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.