SCHEMBL4483468

SCHEMBL4483468

Cc1cc(=O)n(Cc2ccc([N+](=O)[O-])cc2)c(=O)n1Cc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.60
AR P10275 1/20 0.53
DHFR P00374 1/20 0.52
TYMS P04818 1/20 0.52
KMT2A Q03164 7/20 0.51
MEN1 O00255 5/20 0.51
NPSR1 Q6W5P4 1/20 0.51
PKM P14618 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
P2RX4 Q99571 1/20 0.49
SRC P12931 1/20 0.47
PRKACA P17612 1/20 0.47
PRKACG P22612 1/20 0.47
PRKACB P22694 1/20 0.47
NOX4 Q9NPH5 1/20 0.47
POLB P06746 2/20 0.46
ATM Q13315 1/20 0.46
CYP1A2 P05177 1/20 0.46
LMNA P02545 3/20 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
SCHEMBL5801672 0.78 L3MBTL1 (0.59) L3MBTL1ARDHFRTYMSKMT2A
SCHEMBL7835720 0.78 KMT2A (0.69) KMT2AMEN1SMN1; SMN2ATMLMNA
SCHEMBL13932417 0.76 KMT2A (0.48) L3MBTL1KMT2AMEN1SMN1; SMN2POLB
SCHEMBL4769071 0.76 ALDH1A1 (0.60) TYMSKMT2AMEN1SMN1; SMN2P2RX4
SCHEMBL4875253 0.75 KMT2A (0.71) KMT2AMEN1NPSR1PKMSMN1; SMN2
SCHEMBL4763601 0.75 P2RX3 (0.55) KMT2A
SCHEMBL5808696 0.74 KMT2A (0.52) L3MBTL1ARKMT2AMEN1P2RX4
SCHEMBL4809767 0.73 CYP3A4 (0.66) L3MBTL1ARDHFRTYMSKMT2A
SCHEMBL11607905 0.73 AR (0.53) L3MBTL1ARDHFRTYMSKMT2A
SCHEMBL10563564 0.72 L3MBTL1 (0.48) L3MBTL1DHFRTYMSKMT2AMEN1

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
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
US-20030153584-A1 Pyrimidine compounds as anti-ictogenic and/or anti-epileptogenic agents QUEEN'S UNIVERSITY (CA) 2003-08-14 US 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 L3MBTL1 4437/4885AR 4880/4885DHFR 20/4885

“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.