SCHEMBL4486235

SCHEMBL4486235

O=c1[nH]c(=O)n(Cc2ccc([N+](=O)[O-])cc2)cc1Br

nearest known ligand 0.65

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.60
MEN1 O00255 2/20 0.60
DTYMK P23919 1/20 0.54
DBH P09172 1/20 0.47
LMNA P02545 1/20 0.46
CYP1A2 P05177 1/20 0.44
CYP2C19 P33261 1/20 0.44
HPGD P15428 1/20 0.43
ALDH1A1 P00352 2/20 0.42
MAPT P10636 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL14825053 0.83 DBH (0.47) KMT2AMEN1DBHLMNAHPGD
SCHEMBL12410801 0.82 DBH (0.43) KMT2AMEN1DBHLMNAHPGD
SCHEMBL12410761 0.81 KMT2A (0.46) KMT2AMEN1DTYMKDBHLMNA
SCHEMBL8022167 0.80 MEN1 (0.66) KMT2AMEN1DTYMKHPGDALDH1A1
SCHEMBL12501006 0.80 KMT2A (0.66) KMT2AMEN1DTYMKCYP1A2CYP2C19
SCHEMBL1717207 0.79 MEN1 (0.78) KMT2AMEN1DTYMKCYP1A2CYP2C19
SCHEMBL12410824 0.79 KMT2A (0.47) KMT2AMEN1DBHLMNACYP1A2
SCHEMBL13567219 0.78 KMT2A (0.46) KMT2AMEN1DBHLMNAHPGD
SCHEMBL17243365 0.78 DBH (0.42) KMT2AMEN1DBHLMNAHPGD
SCHEMBL7840035 0.77 MEN1 (0.71) KMT2AMEN1DTYMKCYP1A2CYP2C19

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
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 (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 KMT2A 1914/4885MEN1 1024/4885DTYMK 312/4885

“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.