SCHEMBL4229582

SCHEMBL4229582

O=c1[nH]c2cc(Cl)cc(Cl)c2c(=O)n1Cc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.48
CA9 Q16790 1/20 0.48
PGR P06401 1/20 0.47
P2RX4 Q99571 1/20 0.44
GRIN2D O15399 1/20 0.43
GRIN3B O60391 1/20 0.43
GRIN1 Q05586 1/20 0.43
GRIN2A Q12879 1/20 0.43
GRIN2B Q13224 1/20 0.43
GRIN2C Q14957 1/20 0.43
GRIN3A Q8TCU5 1/20 0.43
SRC P12931 2/20 0.43
LMNA P02545 1/20 0.43
HTT P42858 1/20 0.43
AR P10275 1/20 0.43
PRKACA P17612 1/20 0.43
PRKACG P22612 1/20 0.43
PRKACB P22694 1/20 0.43
NOX4 Q9NPH5 1/20 0.43
IDO1 P14902 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
SCHEMBL4223568 0.91 PGR (0.53) CA12CA9PGRGRIN2DGRIN3B
SCHEMBL4220204 0.86 LMNA (0.57) CA12CA9PGRLMNAHTT
SCHEMBL4214249 0.85 ALDH1A1 (0.57) CA12CA9PGRGRIN1LMNA
SCHEMBL4226335 0.83 KMT2A (0.55) CA12CA9GRIN1GRIN2BLMNA
SCHEMBL4220838 0.83 CA12 (0.52) CA12CA9PGRGRIN1LMNA
SCHEMBL4220952 0.83 CA12 (0.52) CA12CA9PGRLMNAHTT
SCHEMBL4223484 0.83 CA12 (0.52) CA12CA9PGRLMNAHTT
SCHEMBL4215972 0.81 CHRM1 (0.47) CA12CA9PGRGRIN2DGRIN3B
SCHEMBL4217883 0.81 CA12 (0.54) CA12CA9PGRGRIN1GRIN2B
SCHEMBL4213433 0.80 CA12 (0.52) CA12CA9PGRGRIN2DGRIN3B

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 CA12 4883/4885CA9 4877/4885PGR 3180/4885

“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.