SCHEMBL6830994

SCHEMBL6830994

NC(c1ccc([N+](=O)[O-])cc1)C(C(=O)O)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM8 O00222 1/20 0.49
GRM6 O15303 1/20 0.49
GRM4 Q14833 1/20 0.49
TDP1 Q9NUW8 1/20 0.48
TSHR P16473 1/20 0.47
SLC1A3 P43003 1/20 0.47
SLC1A2 P43004 1/20 0.47
SLC1A1 P43005 1/20 0.47
ALDH1A1 P00352 4/20 0.46
CES1 P23141 2/20 0.46
MEN1 O00255 1/20 0.45
MAPT P10636 1/20 0.45
KMT2A Q03164 1/20 0.45
CES2 O00748 1/20 0.44
SRD5A2 P31213 1/20 0.44
CA1 P00915 3/20 0.44
CA2 P00918 3/20 0.44
KDM4E B2RXH2 1/20 0.44
LMNA P02545 1/20 0.43
GAA P10253 1/20 0.43

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
SCHEMBL27771673 0.84 ALDH1A1 (0.44) GRM8GRM6GRM4TDP1TSHR
SCHEMBL27559505 0.84 ALDH1A1 (0.44) GRM8GRM6GRM4TDP1TSHR
SCHEMBL6509360 0.83 GRM8 (0.47) GRM8GRM6GRM4TDP1TSHR
SCHEMBL3893076 0.83 GRM8 (0.47) GRM8GRM6GRM4TDP1TSHR
SCHEMBL4694927 0.82 ALDH1A1 (0.56) TDP1TSHRALDH1A1CES1MEN1
SCHEMBL16781693 0.82 ALDH1A1 (0.56) TDP1TSHRALDH1A1CES1MEN1
SCHEMBL2628065 0.81 TDP1 (0.52) GRM8GRM6GRM4TDP1TSHR
Hydrochloric Acid SCHEMBL14119652 0.81 ALDH1A1 (0.54) TDP1TSHRALDH1A1CES1MEN1
Hydrochloric Acid SCHEMBL30098251 0.81 ALDH1A1 (0.54) TDP1TSHRALDH1A1CES1MEN1
Hydrochloric Acid SCHEMBL19951705 0.81 ALDH1A1 (0.54) TDP1TSHRALDH1A1CES1MEN1

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-1386166-A2 ANTI-EPILEPTOGENIC AGENTS QUEEN'S UNIVERSITY AT KINGSTON (CA) 2004-02-04 EP claimed
US-20030194375-A1 Administering 3-aminopropionic acid derivative as anticonvulsant QUEEN'S UNIVERSITY AT KINGSTON AND NEUROCHEM, INC. 2003-10-16 US claimed
WO-2002073208-A2 ANTI-EPILEPTOGENIC AGENTS QUEEN'S UNIVERSITY AT KINGSTON (CA) 2002-09-19 WO claimed
EP-1386166-A2 ANTI-EPILEPTOGENIC AGENTS QUEEN'S UNIVERSITY AT KINGSTON (CA) 2004-02-04 EP disclosed
WO-2002073208-A2 ANTI-EPILEPTOGENIC AGENTS QUEEN'S UNIVERSITY AT KINGSTON (CA) 2002-09-19 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-20030194375-A1 Administering 3-aminopropionic acid derivative as anticonvulsant SLC1A2, SLC1A1, SLC1A3 GRM8 686/4885GRM6 150/4885GRM4 323/4885

“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.