SCHEMBL4484823

SCHEMBL4484823

CCC(C)n1cc(Br)c(=O)[nH]c1=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.51
TDP1 Q9NUW8 1/20 0.46
ALDH1A1 P00352 3/20 0.43
CYP2C19 P33261 2/20 0.43
SQOR Q9Y6N5 1/20 0.42
GRIA1 P42261 2/20 0.41
GRIA2 P42262 2/20 0.41
GRIA4 P48058 2/20 0.41
GRIK5 Q16478 1/20 0.41
ASAH1 Q13510 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
LMNA P02545 1/20 0.37
GRIA3 P42263 1/20 0.36
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
CYP1A2 P05177 1/20 0.35
POLB P06746 1/20 0.35
MET P08581 1/20 0.35

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
SCHEMBL4483835 0.82 GAA (0.57) GAATDP1ALDH1A1CYP2C19SQOR
SCHEMBL23734278 0.81 ALDH1A1 (0.43) GAAALDH1A1CYP2C19SMN1; SMN2MET
SCHEMBL22381003 0.81 ALDH1A1 (0.43) ALDH1A1CYP2C19SMN1; SMN2LMNAPOLB
SCHEMBL24235951 0.79 SMN1; SMN2 (0.58) ALDH1A1CYP2C19SQORGRIA1GRIA2
SCHEMBL26550486 0.77 ALDH1A1 (0.44) ALDH1A1CYP2C19GRIA1GRIA2GRIA4
SCHEMBL27888205 0.76 GAA (0.46) GAATDP1ALDH1A1CYP2C19SQOR
SCHEMBL23225516 0.73 SQOR (0.53) GAATDP1ALDH1A1CYP2C19SQOR
SCHEMBL22327058 0.71 CYP2C19 (0.37) ALDH1A1CYP2C19SMN1; SMN2KMT2AMET
SCHEMBL21277460 0.70 GAA (0.40) GAATDP1ALDH1A1CYP2C19SQOR
SCHEMBL14546378 0.68 GAA (0.41) GAATDP1ALDH1A1CYP2C19SQOR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7501429-B2 Pyrimidine compounds as anti-ictogenic and/or anti-epileptogenic agents QUEEN'S UNIVERSITY AT KINGSTON (CA) 2009-03-10 US 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
US-7501429-B2 Pyrimidine compounds as anti-ictogenic and/or anti-epileptogenic agents QUEEN'S UNIVERSITY AT KINGSTON (CA) 2009-03-10 US 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 (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-20030153584-A1 Pyrimidine compounds as anti-ictogenic and/or anti-epileptogenic agents NUDT1, DPYD, TYMP GAA 674/4885TDP1 154/4885ALDH1A1 801/4885

“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.