SCHEMBL3697339

SCHEMBL3697339

COc1ccc2nccc(C(O)CN3CCCCC3CNCc3ccc4c(c3)NC(=O)CO4)c2c1

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 4/20 0.51
DRD2 P14416 2/20 0.43
DRD4 P21917 2/20 0.43
SLC2A1 P11166 8/20 0.42
PARP1 P09874 1/20 0.40
HTR1A P08908 1/20 0.38

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
SCHEMBL5652450 0.88 KCNH2 (0.54) KCNH2DRD2DRD4SLC2A1HTR1A
SCHEMBL5650170 0.86 KCNH2 (0.68) KCNH2SLC2A1
SCHEMBL3693230 0.86 KCNH2 (0.68) KCNH2SLC2A1
SCHEMBL5254892 0.83 KCNH2 (0.74) KCNH2DRD2DRD4SLC2A1
SCHEMBL5251668 0.83 KCNH2 (0.74) KCNH2DRD2DRD4SLC2A1
SCHEMBL3690676 0.82 KCNH2 (0.51) KCNH2SLC2A1
SCHEMBL3694049 0.81 KCNH2 (0.58) KCNH2SLC2A1
SCHEMBL3690390 0.79 KCNH2 (0.47) KCNH2DRD2DRD4HTR1A
SCHEMBL5433187 0.78 HTR1A (0.48) KCNH2DRD2DRD4PARP1HTR1A
SCHEMBL3691874 0.77 KCNH2 (0.66) KCNH2SLC2A1

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-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-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 2411/4885DRD2 4147/4885DRD4 2564/4885

“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.