SCHEMBL3699164

SCHEMBL3699164

COc1ccc2nccc(C(O)CN3CCOC(CNCc4ccc5c(c4)OCO5)C3)c2c1

nearest known ligand 0.65

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 6/20 0.65
MCHR1 Q99705 1/20 0.49
SLC2A1 P11166 8/20 0.46
PDE5A O76074 1/20 0.46
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
ALOX15 P16050 1/20 0.42
TSHR P16473 1/20 0.42
ALOX12 P18054 1/20 0.42
HTT P42858 1/20 0.42
KMT2A Q03164 1/20 0.42
TDP1 Q9NUW8 1/20 0.42

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
SCHEMBL3691876 0.96 KCNH2 (0.70) KCNH2MCHR1SLC2A1PDE5A
SCHEMBL14514800 0.88 KCNH2 (0.66) KCNH2MCHR1SLC2A1PDE5AKDM4E
SCHEMBL5265631 0.86 KCNH2 (0.48) KCNH2MCHR1SLC2A1PDE5AKDM4E
SCHEMBL13145884 0.85 KCNH2 (0.72) KCNH2MCHR1SLC2A1
SCHEMBL3695779 0.85 KCNH2 (0.72) KCNH2MCHR1SLC2A1
SCHEMBL13145883 0.85 KCNH2 (0.72) KCNH2MCHR1SLC2A1
SCHEMBL13146159 0.84 KCNH2 (0.69) KCNH2MCHR1SLC2A1
SCHEMBL5430610 0.83 KCNH2 (0.52) KCNH2MCHR1SLC2A1PDE5AKDM4E
SCHEMBL5438013 0.83 KCNH2 (0.58) KCNH2SLC2A1
SCHEMBL3685680 0.83 KCNH2 (0.61) KCNH2MCHR1SLC2A1PDE5AKDM4E

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-2239260-A1 Novel compounds with antibacterial activity Morphochem Aktiengesellschaft Für Kombinatorische Chemie (DE) 2010-10-13 EP disclosed
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-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 2411/4885MCHR1 4271/4885SLC2A1 4070/4885

“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.