SCHEMBL4215972

SCHEMBL4215972

O=c1[nH]c2cc(Cl)cc(Cl)c2c(=O)n1Cc1ccccc1[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 2/20 0.47
CA12 O43570 4/20 0.46
CA9 Q16790 4/20 0.46
ALDH1A1 P00352 5/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
MAPT P10636 2/20 0.43
GRIN2D O15399 1/20 0.42
GRIN3B O60391 1/20 0.42
GRIN1 Q05586 1/20 0.42
GRIN2A Q12879 1/20 0.42
GRIN2B Q13224 1/20 0.42
GRIN2C Q14957 1/20 0.42
GRIN3A Q8TCU5 1/20 0.42
DPP4 P27487 1/20 0.40
DRD2 P14416 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
RECQL P46063 1/20 0.40
TSHR P16473 1/20 0.40
PGR P06401 1/20 0.38

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
SCHEMBL4211491 0.84 ALDH1A1 (0.58) CHRM1CA12CA9ALDH1A1SMN1; SMN2
SCHEMBL4229582 0.81 CA12 (0.48) CA12CA9ALDH1A1SMN1; SMN2MAPT
SCHEMBL4211228 0.81 CA12 (0.50) CA12CA9ALDH1A1SMN1; SMN2MAPT
SCHEMBL4211224 0.81 CA12 (0.50) CA12CA9ALDH1A1SMN1; SMN2MAPT
SCHEMBL4223635 0.81 CA12 (0.50) CHRM1CA12CA9ALDH1A1SMN1; SMN2
SCHEMBL4214249 0.80 ALDH1A1 (0.57) CA12CA9ALDH1A1SMN1; SMN2MAPT
SCHEMBL4223568 0.80 PGR (0.53) CA12CA9ALDH1A1SMN1; SMN2MAPT
SCHEMBL4224308 0.79 CA12 (0.48) CA12CA9ALDH1A1SMN1; SMN2MAPT
SCHEMBL4227536 0.78 ALDH1A1 (0.60) CA12CA9ALDH1A1SMN1; SMN2MAPT
SCHEMBL4221252 0.78 MAPT (0.44) ALDH1A1MAPTRECQLTSHRFEN1

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 CHRM1 86/4885CA12 4883/4885CA9 4877/4885

“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.