SCHEMBL4213447

SCHEMBL4213447

CC(C)CCn1c(=O)[nH]c2cc(Cl)cc(Cl)c2c1=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.54
CA9 Q16790 1/20 0.54
ALDH1A1 P00352 3/20 0.40
KDM4E B2RXH2 2/20 0.40
HSD17B10 Q99714 1/20 0.40
KRAS P01116 1/20 0.39
CHEK1 O14757 1/20 0.39
WEE1 P30291 1/20 0.39
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
CYP1A2 P05177 2/20 0.38
CYP2D6 P10635 2/20 0.38
TSHR P16473 2/20 0.38
BLM P54132 2/20 0.38
LMNA P02545 2/20 0.38
CYP3A4 P08684 1/20 0.38
NFKB1 P19838 1/20 0.38
PMP22 Q01453 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HPGD P15428 2/20 0.37

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
SCHEMBL4223554 0.85 CA12 (0.57) CA12CA9KRASMEN1KMT2A
SCHEMBL4214254 0.82 CA12 (0.55) CA12CA9ALDH1A1KDM4EHSD17B10
SCHEMBL4217832 0.81 CA12 (0.60) CA12CA9KRASMEN1KMT2A
SCHEMBL4224234 0.80 CA12 (0.52) CA12CA9ALDH1A1KDM4EHSD17B10
SCHEMBL4226359 0.79 CA12 (0.43) CA12CA9ALDH1A1KDM4EHSD17B10
SCHEMBL4211671 0.78 CA12 (0.54) CA12CA9ALDH1A1KDM4EMEN1
SCHEMBL4211573 0.76 CA12 (0.51) CA12CA9ALDH1A1KDM4EHSD17B10
SCHEMBL4217860 0.76 CA12 (0.66) CA12CA9ALDH1A1KDM4EHSD17B10
SCHEMBL4214249 0.76 ALDH1A1 (0.57) CA12CA9ALDH1A1KDM4EMEN1
SCHEMBL4220193 0.76 CA12 (0.48) CA12CA9ALDH1A1KDM4EHSD17B10

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 4877/4885ALDH1A1 2756/4885

“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.