SCHEMBL4430624

SCHEMBL4430624

N[C@H](C(=O)O)c1cccc([N+](=O)[O-])c1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRM8 O00222 4/20 0.56
GRM4 Q14833 4/20 0.56
GRM6 O15303 3/20 0.55
ACP3 P15309 1/20 0.55
KMO O15229 1/20 0.55
TP53 P04637 1/20 0.53
TSHR P16473 3/20 0.52
LMNA P02545 1/20 0.52
HTT P42858 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
CES2 O00748 1/20 0.50
CES1 P23141 1/20 0.50
ALDH1A1 P00352 2/20 0.49
ALOX15 P16050 1/20 0.49

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
SCHEMBL2235483 1.00 GRM8 (0.56) GRM8GRM4GRM6ACP3KMO
SCHEMBL2235479 1.00 GRM8 (0.56) GRM8GRM4GRM6ACP3KMO
SCHEMBL4430629 1.00 GRM8 (0.56) GRM8GRM4GRM6ACP3KMO
SCHEMBL31652822 1.00 GRM8 (0.56) GRM8GRM4GRM6ACP3KMO
SCHEMBL12395373 0.87 ALDH1A1 (0.56) GRM8GRM4GRM6ACP3TP53
SCHEMBL27382091 0.83 GRM8 (0.50) GRM8GRM4GRM6ACP3KMO
SCHEMBL5861774 0.83 ACP3 (0.58) GRM8GRM4GRM6ACP3KMO
SCHEMBL21853750 0.83 GRM8 (0.55) GRM8GRM4GRM6ACP3KMO
SCHEMBL21853749 0.83 GRM8 (0.55) GRM8GRM4GRM6ACP3KMO
SCHEMBL15229336 0.81 ALDH1A1 (0.52) GRM8GRM4GRM6ACP3TSHR

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
EP-2125739-A1 MODULATORS OF C3A RECEPTOR AND METHODS OF USE THEREOF ENCYSIVE PHARMACEUTICALS, INC. (US) 2009-12-02 EP disclosed
US-20080188528-A1 Modulators of C3a receptor and methods of use thereof ENCYSIVE PHARMACEUTICALS, INC. 2008-08-07 US disclosed
WO-2008079371-A1 MODULATORS OF C3A RECEPTOR AND METHODS OF USE THEREOF ENCYSIVE PHARMACEUTICALS, INC. (US) 2008-07-03 WO disclosed
US-5378838-A FOR USE IN HUMANS MERCK & CO., INC. (US) 1995-01-03 US disclosed
WO-1994015924-A1 CHOLECYSTOKININ ANTAGONISTS MERCK & CO., INC. (US) 1994-07-21 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-20080188528-A1 Modulators of C3a receptor and methods of use thereof C3AR1, C5, C5AR1 GRM8 1001/4885GRM4 939/4885GRM6 680/4885

“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.