SCHEMBL4482962

SCHEMBL4482962

Cc1cccc(-c2cc(=O)[nH]c(=O)[nH]2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.51
HTT P42858 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.50
XDH P47989 1/20 0.50
NOTUM Q6P988 1/20 0.45
CA1 P00915 1/20 0.44
TAS2R38 P59533 1/20 0.43
KDM4E B2RXH2 2/20 0.42
LMNA P02545 2/20 0.42
HPGD P15428 2/20 0.42
ALDH1A1 P00352 1/20 0.42
IDO1 P14902 1/20 0.41
METAP2 P50579 1/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
NPY5R Q15761 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
TP53 P04637 1/20 0.41

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
SCHEMBL3474886 0.79 TAS2R38 (0.66) MAPTHTTNOTUMTAS2R38KDM4E
SCHEMBL13917976 0.79 GPR84 (0.45) MAPTHTTL3MBTL1KDM4EHPGD
SCHEMBL25078457 0.78 NOTUM (0.62) MAPTL3MBTL1XDHNOTUMKDM4E
SCHEMBL13804844 0.76 TP53 (0.50) NOTUMCA1TAS2R38ALDH1A1NPC1
SCHEMBL8987272 0.76 NOTUM (0.50) MAPTL3MBTL1XDHNOTUMTAS2R38
SCHEMBL22109766 0.74 ACHE (0.50) MAPTL3MBTL1XDHKDM4EHPGD
SCHEMBL13917978 0.73 GPR84 (0.52) MAPTXDHTAS2R38KDM4EMEN1
SCHEMBL19561883 0.72 NPY5R (0.44) MAPTL3MBTL1XDHKDM4ELMNA
SCHEMBL8264638 0.71 GRIA1 (0.65) L3MBTL1NOTUMLMNAHPGDALDH1A1
SCHEMBL17016650 0.71 PARP1 (0.45) L3MBTL1XDHNOTUMKDM4EHPGD

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 MAPT 1146/4885HTT 1443/4885L3MBTL1 4437/4885

“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.