SCHEMBL4482608

SCHEMBL4482608

Cc1c(Br)c(=O)[nH]c(=O)n1Cc1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.68
HPGD P15428 6/20 0.53
KMT2A Q03164 6/20 0.52
MAPT P10636 2/20 0.52
KDM4E B2RXH2 4/20 0.51
MEN1 O00255 3/20 0.51
LMNA P02545 2/20 0.51
TSHR P16473 3/20 0.50
PSMD14 O00487 1/20 0.50
HTT P42858 1/20 0.50
DAO P14920 1/20 0.49
PNP P00491 1/20 0.48
MAPK1 P28482 1/20 0.47
ADORA3 P0DMS8 1/20 0.47
BRD4 O60885 1/20 0.47
NPSR1 Q6W5P4 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.46
CYP3A4 P08684 1/20 0.46
HSD17B10 Q99714 1/20 0.45

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
SCHEMBL7834509 0.83 HPGD (0.55) ALDH1A1HPGDKMT2AMAPTKDM4E
SCHEMBL13999451 0.81 ALDH1A1 (0.55) ALDH1A1KMT2AMAPTKDM4EMEN1
SCHEMBL6348563 0.81 ALDH1A1 (0.62) ALDH1A1HPGDKMT2AMAPTKDM4E
SCHEMBL27711720 0.79 HPGD (0.50) ALDH1A1HPGDKMT2AMAPTKDM4E
SCHEMBL124962 0.79 ALDH1A1 (0.51) ALDH1A1HPGDKMT2AMAPTKDM4E
SCHEMBL10963476 0.78 ALDH1A1 (0.47) ALDH1A1HPGDKMT2AMAPTKDM4E
SCHEMBL4027176 0.77 PKM (0.47) ALDH1A1KMT2AMAPTMEN1LMNA
SCHEMBL6243233 0.75 KMT2A (0.55) ALDH1A1HPGDKMT2AMAPTKDM4E
SCHEMBL6689938 0.74 HPGD (0.50) ALDH1A1HPGDKMT2AMAPTKDM4E
SCHEMBL1740707 0.72 ALDH1A1 (0.44) ALDH1A1HPGDTSHRCYP3A4HSD17B10

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 ALDH1A1 801/4885HPGD 459/4885KMT2A 1914/4885

“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.