SCHEMBL3695758

SCHEMBL3695758

COc1ccc2nccc(C#CC3(O)CCC4(CC3)OCCO4)c2n1

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 8/20 0.35
OGA O60502 1/20 0.33
MAP3K14 Q99558 2/20 0.32
MMP14 P50281 1/20 0.31
ATM Q13315 1/20 0.31

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
SCHEMBL14539419 0.80 KCNH2 (0.38) KCNH2
SCHEMBL1148209 0.75 KCNH2 (0.39) KCNH2
SCHEMBL3956506 0.75 MAP4K4 (0.39) OGA
SCHEMBL1148210 0.75 KCNH2 (0.39) KCNH2
SCHEMBL1148213 0.75 KCNH2 (0.39) KCNH2
SCHEMBL3694118 0.74 KCNH2 (0.44) KCNH2
SCHEMBL5265774 0.73 KCNH2 (0.41) KCNH2
SCHEMBL3956508 0.73 OGA (0.36) KCNH2OGA
SCHEMBL3170198 0.72 EGFR (0.34) KCNH2
SCHEMBL589875 0.70 KCNH2 (0.34) KCNH2

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-2239260-A1 Novel compounds with antibacterial activity Morphochem Aktiengesellschaft Für Kombinatorische Chemie (DE) 2010-10-13 EP disclosed
US-7223776-B2 Compounds with anti-bacterial activity MORPHOCHEM AG (DE) 2007-05-29 US disclosed
US-7223776-B2 Compounds with anti-bacterial activity MORPHOCHEM AG (DE) 2007-05-29 US disclosed
US-20060040949-A1 Novel compounds with antibacterial activity MORPHOCHEM AG 2006-02-23 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-20060040949-A1 Novel compounds with antibacterial activity MRPL21, Q6ZSR9, MRPL19 KCNH2 2411/4885OGA 2957/4885MAP3K14 2501/4885

“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.