SCHEMBL4100008

SCHEMBL4100008

N[C@@H](CCP(=O)(O)C(O)c1c([N+](=O)[O-])cccc1[N+](=O)[O-])C(=O)O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GRM8 O00222 20/20 1.00
GRM4 Q14833 20/20 1.00
GRM6 O15303 13/20 0.66
GRM7 Q14831 2/20 0.65

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
SCHEMBL4102325 0.86 GRM8 (1.00) GRM8GRM4GRM6GRM7
SCHEMBL8238927 0.80 GRM4 (1.00) GRM8GRM4GRM6GRM7
SCHEMBL10000470 0.80 GRM4 (1.00) GRM8GRM4GRM6GRM7
SCHEMBL8242043 0.79 GRM8 (0.89) GRM8GRM4GRM6GRM7
SCHEMBL4260547 0.79 GRM8 (1.00) GRM8GRM4GRM6GRM7
SCHEMBL4091107 0.79 GRM8 (1.00) GRM8GRM4GRM6GRM7
SCHEMBL10027439 0.79 GRM8 (1.00) GRM8GRM4GRM6GRM7
SCHEMBL4095288 0.79 GRM4 (1.00) GRM8GRM4GRM6GRM7
SCHEMBL4084361 0.78 GRM8 (1.00) GRM8GRM4GRM6GRM7
SCHEMBL4085091 0.78 GRM8 (1.00) GRM8GRM4GRM6GRM7

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
US-20090170813-A1 Hypophosphorous Acid Derivatives and their Therapeutical Applications CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S.) (FR) 2009-07-02 US disclosed
US-20090170813-A1 Hypophosphorous Acid Derivatives and their Therapeutical Applications CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S.) (FR) 2009-07-02 US disclosed
US-20090170813-A1 Hypophosphorous Acid Derivatives and their Therapeutical Applications CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S.) (FR) 2009-07-02 US disclosed
WO-2007052169-A2 HYPOPHOSPHOROUS ACID DERIVATIVES AND THEIR THERAPEUTICAL APPLICATIONS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2007-05-10 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-20090170813-A1 Hypophosphorous Acid Derivatives and their Therapeutical Applications P4HA1, CYP2R1, EGLN3 GRM8 1667/4885GRM4 1497/4885GRM6 1170/4885

“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.