SCHEMBL5370872

SCHEMBL5370872

NCC(C(=O)O)c1ccc(Br)cc1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.53
HTR2A P28223 1/20 0.52
CYP2C19 P33261 1/20 0.43
CPN1 P15169 1/20 0.42
CPB2 Q96IY4 1/20 0.42
LDHA P00338 1/20 0.41
CYP1A2 P05177 1/20 0.41
MEN1 O00255 1/20 0.41
ALOX5 P09917 1/20 0.41
CNR2 P34972 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40
OGG1 O15527 1/20 0.39
PTGS1 P23219 1/20 0.39
PTGS2 P35354 1/20 0.39
POLB P06746 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
CNR1 P21554 1/20 0.38

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
SCHEMBL28332935 0.89 CPN1 (0.48) KMT2ACYP2C19CPN1CPB2CYP1A2
SCHEMBL27875090 0.86 HTR2A (0.48) KMT2AHTR2ACYP2C19CYP1A2MEN1
Hydrochloric Acid SCHEMBL27865148 0.84 HTR2A (0.47) KMT2AHTR2ACYP2C19CYP1A2MEN1
SCHEMBL2738972 0.84 HTR2A (0.47) KMT2AHTR2ACYP2C19CYP1A2MEN1
SCHEMBL684580 0.82 CYP1A2 (0.48) KMT2AHTR2ACYP1A2MEN1ALOX5
SCHEMBL28911005 0.82 KMT2A (0.48) KMT2AHTR2ACYP2C19CPN1CPB2
SCHEMBL28445931 0.82 KMT2A (0.48) KMT2AHTR2ACYP2C19CPN1CPB2
SCHEMBL28911003 0.82 KMT2A (0.48) KMT2AHTR2ACYP2C19CPN1CPB2
SCHEMBL1118743 0.82 TAAR1 (0.52) CYP2C19CPN1CPB2L3MBTL1ALDH1A1
SCHEMBL1118667 0.82 TAAR1 (0.52) CYP2C19CPN1CPB2L3MBTL1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7268164-B2 Anti-epileptogenic agents QUEENS UNIVERSITY AT KINGSTON (CA) 2007-09-11 US disclosed
US-6930112-B2 Anti-epileptogenic agents QUEEN'S UNIVERSITY AT KINGSTON (CA) 2005-08-16 US disclosed
EP-1386166-A2 ANTI-EPILEPTOGENIC AGENTS QUEEN'S UNIVERSITY AT KINGSTON (CA) 2004-02-04 EP disclosed
US-20030229144-A1 Anti-epileptogenic agents QUEEN'S UNIVERSITY AT KINGSTON 2003-12-11 US disclosed
US-20030194375-A1 Administering 3-aminopropionic acid derivative as anticonvulsant QUEEN'S UNIVERSITY AT KINGSTON AND NEUROCHEM, INC. 2003-10-16 US disclosed
WO-2002073208-A2 ANTI-EPILEPTOGENIC AGENTS QUEEN'S UNIVERSITY AT KINGSTON (CA) 2002-09-19 WO disclosed
US-20020025949-A1 Anti-epileptogenic agents QUEEN'S UNIVERSITY AT KINGSTON 2002-02-28 US disclosed
US-6306909-B1 AMINOACID DERIVATIVES AND ESTERS QUEEN'S UNIVERSITY AT KINGSTON (CA) 2001-10-23 US disclosed
EP-0969823-A2 ANTI-EPILEPTOGENIC AGENTS QUEEN'S UNIVERSITY AT KINGSTON (CA) 2000-01-12 EP disclosed
WO-1998040055-A2 ANTI-EPILEPTOGENIC AGENTS QUEEN'S UNIVERSITY AT KINGSTON (CA) 1998-09-17 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 (3 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-20030229144-A1 Anti-epileptogenic agents CA3, GAP43, GRIK5 KMT2A 1605/4885HTR2A 1939/4885CYP2C19 1925/4885
US-20030194375-A1 Administering 3-aminopropionic acid derivative as anticonvulsant SLC1A2, SLC1A1, SLC1A3 KMT2A 1066/4885HTR2A 1483/4885CYP2C19 1456/4885
US-20020025949-A1 Anti-epileptogenic agents CA3, GAP43, GRIK5 KMT2A 1605/4885HTR2A 1939/4885CYP2C19 1925/4885

“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.