SCHEMBL4223554

SCHEMBL4223554

CCCn1c(=O)[nH]c2cc(Cl)cc(Cl)c2c1=O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.57
CA9 Q16790 1/20 0.57
ADORA3 P0DMS8 2/20 0.48
ADORA2B P29275 2/20 0.48
ADORA1 P30542 1/20 0.48
MEN1 O00255 2/20 0.44
CYP1A2 P05177 2/20 0.44
CYP2D6 P10635 2/20 0.44
TSHR P16473 2/20 0.44
BLM P54132 2/20 0.44
KMT2A Q03164 2/20 0.44
LMNA P02545 1/20 0.44
CYP3A4 P08684 1/20 0.44
NFKB1 P19838 1/20 0.44
PMP22 Q01453 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
KRAS P01116 1/20 0.41
PDE4A P27815 1/20 0.40
ADORA2A P29274 1/20 0.40
PDE4B Q07343 1/20 0.40

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
SCHEMBL4214254 0.92 CA12 (0.55) CA12CA9ADORA3ADORA2BADORA1
SCHEMBL4224234 0.89 CA12 (0.52) CA12CA9MEN1CYP1A2CYP2D6
SCHEMBL4217832 0.88 CA12 (0.60) CA12CA9MEN1CYP1A2CYP2D6
SCHEMBL4213447 0.85 CA12 (0.54) CA12CA9MEN1CYP1A2CYP2D6
SCHEMBL4211671 0.82 CA12 (0.54) CA12CA9ADORA3ADORA2BMEN1
SCHEMBL4211573 0.80 CA12 (0.51) CA12CA9ADORA2BMEN1KMT2A
SCHEMBL4217860 0.80 CA12 (0.66) CA12CA9ADORA3ADORA2BADORA1
SCHEMBL4214249 0.79 ALDH1A1 (0.57) CA12CA9MEN1KMT2ALMNA
SCHEMBL4220193 0.79 CA12 (0.48) CA12CA9ADORA2BMEN1CYP1A2
SCHEMBL4220204 0.78 LMNA (0.57) CA12CA9MEN1KMT2ALMNA

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-20090209422-A1 Insecticidal Substituted Aminoalkyl Heterocyclic and Heteroaryl Derivatives BAYER CROPSCIENCE AG (DE) 2009-08-20 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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20090209422-A1 Insecticidal Substituted Aminoalkyl Heterocyclic and Heteroaryl Derivatives DDT, AADAC, DDC CA12 4867/4885CA9 4543/4885ADORA3 1420/4885
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 4877/4885ADORA3 51/4885

“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.