SCHEMBL6218508

SCHEMBL6218508

[c]1nnoc1-c1ncccn1

nearest known ligand 0.30

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
TP53 P04637 1/20 0.30

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
SCHEMBL2038692 0.74 KDM4E (0.50) KDM4ETDP1TP53
SCHEMBL8992127 0.64 GOT1 (0.31)
SCHEMBL171853 0.62 HDAC8 (0.47) KDM4ETDP1TP53
SCHEMBL30800591 0.59 HDAC8 (0.44) KDM4ETDP1TP53
SCHEMBL17144230 0.59 HDAC8 (0.44) KDM4ETDP1TP53
SCHEMBL4270187 0.59 HDAC8 (0.44) KDM4ETDP1TP53
SCHEMBL29810143 0.59 HDAC8 (0.44) KDM4ETDP1TP53
Hydrochloric Acid SCHEMBL6534749 0.59 HDAC8 (0.44) KDM4ETDP1TP53
Iodide SCHEMBL28731796 0.59 HDAC8 (0.44) KDM4ETDP1TP53
SCHEMBL28383937 0.59 HDAC8 (0.44) KDM4ETDP1TP53

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
EP-1458717-B1 AROYL PYRIDINONES BAYER HEALTHCARE AG (DE) 2005-09-07 EP disclosed
US-20050070555-A1 Aroyl pyridinones BAYER HEALTHCARE AG 2005-03-31 US disclosed
EP-1458717-A1 AROYL PYRIDINONES Bayer HealthCare AG (DE) 2004-09-22 EP disclosed
WO-2003053967-A1 AROYL PYRIDINONES BAYER HEALTHCARE AG (DE) 2003-07-03 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-20050070555-A1 Aroyl pyridinones PNPO, NDUFV2, NDUFS6 KDM4E 1594/4885TDP1 3177/4885TP53 4207/4885

“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.