SCHEMBL4909641

SCHEMBL4909641

COC(=O)c1ccnc(-c2ccc(NC(=O)c3[nH]c(C)c(Cl)c3Cl)cc2)c1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.47
KDM6B O15054 2/20 0.47
KDM5C P41229 2/20 0.47
KDM4C Q9H3R0 2/20 0.47
KDM2A Q9Y2K7 2/20 0.47
KDM3A Q9Y4C1 2/20 0.47
MAOB P27338 1/20 0.47
SCN10A Q9Y5Y9 1/20 0.45
TOP2A P11388 1/20 0.42
PLAU P00749 1/20 0.41

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
SCHEMBL4909723 0.89 TOP2A (0.49) KDM6BKDM4CKDM2AKDM3ATOP2A
SCHEMBL4910421 0.79 NPC1 (0.42)
SCHEMBL4907263 0.77 IKBKE (0.44) KDM4ETOP2A
SCHEMBL4910656 0.77 PTPN11 (0.46)
SCHEMBL4909354 0.77 CHRNA7 (0.42) KDM4E
SCHEMBL4906966 0.76 IKBKE (0.42) KDM4E
SCHEMBL25002924 0.75 KDM4C (0.63) KDM4EKDM6BKDM5CKDM4CKDM2A
Hydrochloric Acid SCHEMBL580942 0.74 KDM4C (0.61) KDM4EKDM6BKDM5CKDM4CKDM2A
SCHEMBL29141517 0.74 KDM4E (0.65) KDM4EKDM6BKDM5CKDM4CKDM2A
SCHEMBL4909172 0.74 MAPT (0.49) SCN10A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080269214-A1 Pyrrole Derivatives as Dna Gyrase and Topoisomerase Inhibitors ASTRAZENECA AB (SE) 2008-10-30 US claimed
US-20080269214-A1 Pyrrole Derivatives as Dna Gyrase and Topoisomerase Inhibitors ASTRAZENECA AB (SE) 2008-10-30 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 (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-20080269214-A1 Pyrrole Derivatives as Dna Gyrase and Topoisomerase Inhibitors TOP1, TOP2A, TOP2B KDM4E 1366/4885KDM6B 1707/4885KDM5C 1797/4885

“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.