SCHEMBL4486903

SCHEMBL4486903

CC(C)Cn1cc(Br)c(=O)[nH]c1=O.Cc1cc(=O)[nH]c(=O)n1Cc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
HPGD P15428 4/20 0.45
ALDH1A1 P00352 3/20 0.43
CYP3A4 P08684 1/20 0.43
GRIA1 P42261 1/20 0.43
GRIA2 P42262 1/20 0.43
GRIA4 P48058 1/20 0.43
GRIK5 Q16478 1/20 0.43
RXFP1 Q9HBX9 1/20 0.40
DTYMK P23919 1/20 0.40
KDM4E B2RXH2 1/20 0.39
PSMD14 O00487 1/20 0.39
TSHR P16473 1/20 0.39
HTT P42858 1/20 0.39
TYMS P04818 1/20 0.39
THRB P10828 1/20 0.39

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
SCHEMBL4480638 0.79 HPGD (0.66) MEN1KMT2AHPGDALDH1A1CYP3A4
SCHEMBL1717207 0.75 MEN1 (0.78) MEN1KMT2AHPGDGRIA1GRIA2
SCHEMBL6689938 0.74 HPGD (0.50) MEN1KMT2AHPGDALDH1A1CYP3A4
SCHEMBL29776965 0.70 B3GNT2 (0.43) MEN1KMT2AHPGDALDH1A1CYP3A4
SCHEMBL8022167 0.67 MEN1 (0.66) MEN1KMT2AHPGDALDH1A1DTYMK
5-Bromouracil SCHEMBL6623947 0.66 MEN1 (0.64) MEN1KMT2AHPGDGRIA1GRIA2
SCHEMBL13384415 0.66 HPGD (0.66) MEN1KMT2AHPGD
SCHEMBL4482608 0.66 ALDH1A1 (0.68) MEN1KMT2AHPGDALDH1A1CYP3A4
SCHEMBL12862593 0.65 TYMP (0.60) HPGDALDH1A1
SCHEMBL3996660 0.64 HPGD (1.00) HPGD

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 4 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
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 MEN1 1024/4885KMT2A 1914/4885HPGD 459/4885

“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.