SCHEMBL4564516

SCHEMBL4564516

C=CCn1cc(Br)c(=O)[nH]c1=O

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 1/20 0.49
GRIA2 P42262 1/20 0.49
GRIA4 P48058 1/20 0.49
GRIK5 Q16478 1/20 0.49
TDP1 Q9NUW8 1/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C19 P33261 1/20 0.46
ALDH1A1 P00352 1/20 0.46
CCR6 P51684 1/20 0.43
PAX8 Q06710 1/20 0.43
DTYMK P23919 1/20 0.41
GAA P10253 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
SCHEMBL9891080 0.79 ALDH1A1 (0.47) GRIA1GRIA2GRIA4GRIK5TDP1
SCHEMBL148953 0.79 CYP3A4 (0.37) KMT2ACYP1A2ALDH1A1
SCHEMBL17791229 0.79 CYP1A2 (0.49) GRIA1GRIA2GRIA4GRIK5KMT2A
SCHEMBL9021896 0.79 TK1 (0.56)
SCHEMBL12410891 0.77 TK1 (0.41) TDP1MEN1KMT2ACYP1A2CYP2C19
SCHEMBL1558433 0.77 TK2 (0.42) MEN1KMT2ACYP1A2GAA
SCHEMBL1557329 0.77 KMT2A (0.35) GRIA1GRIA2GRIA4GRIK5MEN1
SCHEMBL1558432 0.77 TK2 (0.42) MEN1KMT2ACYP1A2GAA
SCHEMBL12410887 0.76 ALDH1A1 (0.35) KMT2ACYP1A2CYP2C19ALDH1A1GAA
SCHEMBL13992284 0.76 GRIA1 (0.53) GRIA1GRIA2GRIA4GRIK5TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110166096-A1 URACIL DERIVATIVES AND USE THEREOF RESPROTECT GMBH (DE) 2011-07-07 US disclosed
WO-2009156182-A2 URACIL DERIVATIVES AND USE THEREOF RESPROTECT GMBH (DE) 2009-12-30 WO disclosed
US-7501429-B2 Pyrimidine compounds as anti-ictogenic and/or anti-epileptogenic agents QUEEN'S UNIVERSITY AT KINGSTON (CA) 2009-03-10 US disclosed
WO-2006070292-A2 PYRIMIDINE COMPOUNDS AS ANTI-ICTOGENIC AND/OR ANTI-EPILEPTOGENIC AGENTS QUEEN'S UNIVERSITY AT KINGSTON (US) 2006-07-06 WO disclosed
EP-1385831-A2 PYRIMIDINE COMPOUNDS AS ANTI-ICTOGENIC AND/OR ANTI-EPILEPTOGENIC AGENTS QUEEN'S UNIVERSITY AT KINGSTON (CA) 2004-02-04 EP disclosed
US-20030153584-A1 Pyrimidine compounds as anti-ictogenic and/or anti-epileptogenic agents QUEEN'S UNIVERSITY (CA) 2003-08-14 US disclosed
WO-2002083651-A2 PYRIMIDINE COMPOUNDS AS ANTI-ICTOGENIC AND/OR ANTI-EPILEPTOGENIC AGENTS QUEEN'S UNIVERSITY AT KINGSTON (CA) 2002-10-24 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 (2 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-20110166096-A1 URACIL DERIVATIVES AND USE THEREOF TYMP, UNG, DPYD GRIA1 3680/4885GRIA2 4309/4885GRIA4 4417/4885
US-20030153584-A1 Pyrimidine compounds as anti-ictogenic and/or anti-epileptogenic agents NUDT1, DPYD, TYMP GRIA1 1004/4885GRIA2 1261/4885GRIA4 1132/4885

“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.