SCHEMBL6903819

SCHEMBL6903819

CCOC(=O)c1cn(C2CC2)c2cc(N3CCN(CCCCn4cnc5c(I)nc(Nc6ccc(C)c(CC)c6)nc54)CC3)c(F)cc2c1=O

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ HRH3 Q9Y5N1 1/20 0.43

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
SCHEMBL6903649 0.83 ABL1 (0.35) —
SCHEMBL6778387 0.83 KDM4E (0.51) KDM4EALDH1A1LMNAMAPTHPGD
SCHEMBL6773431 0.80 KDM4E (0.52) KDM4EALDH1A1LMNAMAPTHPGD
SCHEMBL6779787 0.80 — —
SCHEMBL17485769 0.80 KDM4E (0.51) KDM4EALDH1A1LMNAMAPTHPGD
SCHEMBL6783680 0.79 TDP1 (0.49) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL6777154 0.77 KDM4E (0.51) KDM4EALDH1A1LMNAMAPTHPGD
SCHEMBL6773857 0.77 DHFR (0.48) —
SCHEMBL17350592 0.77 KDM4E (0.65) KDM4EALDH1A1LMNAMAPTHPGD
SCHEMBL7061402 0.76 MEN1 (0.41) LMNA

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
EP-1401829-B1 NOVEL HETEROCYCLIC ANTIBACTERIAL COMPOUNDS MICROBIOTIX INC (US) 2012-08-22 — — EP claimed
US-20030181719-A1 Novel heterocyclic antibacterial compounds MICROBIOTIX, INC. 2003-09-25 — — US claimed
EP-1401829-B1 NOVEL HETEROCYCLIC ANTIBACTERIAL COMPOUNDS MICROBIOTIX INC (US) 2012-08-22 — — EP disclosed
EP-1401829-A4 NOVEL HETEROCYCLIC ANTIBACTERIAL COMPOUNDS MICROBIOTIX INC (US) 2004-10-27 — — EP disclosed
EP-1401829-A1 NOVEL HETEROCYCLIC ANTIBACTERIAL COMPOUNDS Microbiotix, Inc. (US) 2004-03-31 — — EP disclosed
WO-2002102792-A1 NOVEL HETEROCYCLIC ANTIBACTERIAL COMPOUNDS MICROBIOTIX, INC. (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-20030181719-A1 Novel heterocyclic antibacterial compounds TOP1, TOP2A, TOP2B KDM4E 2689/4885ALDH1A1 2897/4885LMNA 1542/4885

“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.

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