SCHEMBL4223876

SCHEMBL4223876

O=c1c2c(Cl)cc(Cl)cc2n(Cc2ccccc2)c(=O)n1Cc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.54
P2RX4 Q99571 1/20 0.49
AR P10275 1/20 0.47
CFTR P13569 4/20 0.47
MAPT P10636 2/20 0.46
KDM4E B2RXH2 1/20 0.45
KDM4A O75164 1/20 0.45
ALDH1A1 P00352 1/20 0.45
HPGD P15428 1/20 0.45
TSHR P16473 1/20 0.45
HTT P42858 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
HSD17B10 Q99714 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
SRC P12931 2/20 0.45
PRKACA P17612 1/20 0.45
PRKACG P22612 1/20 0.45
PRKACB P22694 1/20 0.45
NOX4 Q9NPH5 1/20 0.45
THRB P10828 1/20 0.44

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
SCHEMBL4216133 0.91 KMT2A (0.57) KMT2ACFTRMAPTKDM4EALDH1A1
SCHEMBL4227625 0.88 MAPT (0.57) KMT2AMAPTKDM4EKDM4AALDH1A1
SCHEMBL4214380 0.86 MAPT (0.53) KMT2AMAPTKDM4EKDM4AALDH1A1
SCHEMBL4221252 0.85 MAPT (0.44) KMT2ACFTRMAPTKDM4EKDM4A
SCHEMBL4213620 0.83 MAPT (0.50) KMT2AMAPTKDM4EKDM4AALDH1A1
SCHEMBL4214307 0.83 TP53 (0.54) KMT2AMAPTKDM4EKDM4AALDH1A1
SCHEMBL4217708 0.83 MAPT (0.50) KMT2AP2RX4MAPTKDM4EKDM4A
SCHEMBL4217821 0.83 MAPT (0.50) KMT2AMAPTKDM4EKDM4AALDH1A1
SCHEMBL4219514 0.83 KMT2A (0.47) KMT2AP2RX4ARMAPTALDH1A1
SCHEMBL4226156 0.82 MAPT (0.68) KMT2AMAPTKDM4EKDM4AALDH1A1

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-20090203708-A1 NOVEL SUBSTITUTED-1-H-QUINAZOLINE-2,4-DIONE DERIVATIVES, PREPARATION METHOD THEREOF AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2009-08-13 US disclosed
US-20090203708-A1 NOVEL SUBSTITUTED-1-H-QUINAZOLINE-2,4-DIONE DERIVATIVES, PREPARATION METHOD THEREOF AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2009-08-13 US disclosed
US-20090203708-A1 NOVEL SUBSTITUTED-1-H-QUINAZOLINE-2,4-DIONE DERIVATIVES, PREPARATION METHOD THEREOF AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2009-08-13 US disclosed
EP-2035406-A4 NOVEL SUBSTITUTED-1H-QUINAZOLINE-2,4-DIONE DERIVATIVES, PREPARATION METHOD THEREOF AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME KOREA RES INST CHEM TECH (KR) 2009-08-05 EP disclosed
EP-2035406-A1 NOVEL SUBSTITUTED-1H-QUINAZOLINE-2,4-DIONE DERIVATIVES, PREPARATION METHOD THEREOF AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME Korea Research Institute of Chemical Technology (KR) 2009-03-18 EP disclosed
WO-2008004716-A1 NOVEL SUBSTITUTED-1H-QUINAZOLINE-2,4-DIONE DERIVATIVES, PREPARATION METHOD THEREOF AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME KOREA RESERACH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2008-01-10 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-20090203708-A1 NOVEL SUBSTITUTED-1-H-QUINAZOLINE-2,4-DIONE DERIVATIVES, PREPARATION METHOD THEREOF AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME HTR5A, HTR3B, HTR1A KMT2A 4058/4885P2RX4 159/4885AR 1929/4885

“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.