SCHEMBL6645136

SCHEMBL6645136

O=c1[nH]c(=O)c2c(I)cccc2[nH]1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.48
PARP1 P09874 2/20 0.48
CA12 O43570 1/20 0.48
CA9 Q16790 1/20 0.48
PDPK1 O15530 1/20 0.43
DPYD Q12882 1/20 0.42
GPR17 Q13304 1/20 0.40
GRIN2D O15399 1/20 0.38
GRIN3B O60391 1/20 0.38
GRIN1 Q05586 1/20 0.38
GRIN2A Q12879 1/20 0.38
GRIN2B Q13224 1/20 0.38
GRIN2C Q14957 1/20 0.38
GRIN3A Q8TCU5 1/20 0.38
PDE3B Q13370 1/20 0.38
PDE3A Q14432 1/20 0.38
TYMS P04818 2/20 0.37
CHEK1 O14757 2/20 0.37
ALDH1A1 P00352 2/20 0.36
CDK1 P06493 1/20 0.35

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
SCHEMBL30013511 0.76 FEN1 (0.50) KDM4EPARP1CA12CA9GPR17
SCHEMBL3110872 0.76 CHEK1 (0.55) KDM4EPARP1CA12CA9GPR17
SCHEMBL29567841 0.76 FEN1 (0.50) KDM4EPARP1CA12CA9GRIN2D
SCHEMBL4515077 0.76 PARP1 (0.48) KDM4EPARP1CA12CA9GRIN2D
SCHEMBL16529364 0.76 KDM4E (0.48) KDM4EPARP1CA12CA9PDPK1
SCHEMBL8144559 0.76 IMPDH2 (0.50) KDM4EPARP1CA12CA9GRIN2D
SCHEMBL12832866 0.76 KDM4E (0.48) KDM4EPARP1CA12CA9GRIN2D
SCHEMBL3125353 0.76 PARP1 (0.49) KDM4EPARP1CA12CA9PDE3B
SCHEMBL3106487 0.76 FEN1 (0.50) KDM4EPARP1CA12CA9GRIN2D
SCHEMBL30013759 0.76 PARP1 (0.49) KDM4EPARP1CA12CA9PDE3B

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1401830-A2 QUINAZOLINEDIONES AS ANTIBACTERIAL AGENTS Warner-Lambert Company LLC (US) 2004-03-31 EP disclosed
US-20030114666-A1 Having quinazolindione core structure; non-antibiotic resistance WARNER-LAMBERT COMPANY 2003-06-19 US disclosed
WO-2002102793-A2 QUINAZOLINEDIONES AS ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY LLC (US) 2002-12-27 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-20030114666-A1 Having quinazolindione core structure; non-antibiotic resistance ABCC1, RPS6KA1, SIGMAR1 KDM4E 1886/4885PARP1 2078/4885CA12 4788/4885

“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.