SCHEMBL3689154

SCHEMBL3689154

COc1ccc2ncnc(CCC3(O)CCC(NCc4ccc5c(c4)OCO5)CC3)c2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 4/20 0.56
KCNH2 Q12809 9/20 0.54
CLK4 Q9HAZ1 2/20 0.47
SLC2A1 P11166 1/20 0.47
MCHR1 Q99705 1/20 0.46
MTNR1A P48039 1/20 0.45
MTNR1B P49286 1/20 0.45
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
USP2 O75604 2/20 0.42
ALDH1A1 P00352 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
ALOX15 P16050 1/20 0.42
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.42
CYP2C19 P33261 1/20 0.42
HSD17B10 Q99714 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
SCHEMBL3691384 0.95 KCNH2 (0.58) PDE5AKCNH2SLC2A1MTNR1AMTNR1B
SCHEMBL3692130 0.89 MTNR1A (0.51) PDE5AKCNH2MTNR1AMTNR1B
SCHEMBL5652187 0.85 MCHR1 (0.46) PDE5AKCNH2SLC2A1MCHR1MTNR1A
SCHEMBL3687390 0.84 KCNH2 (0.74) KCNH2SLC2A1
SCHEMBL3688159 0.84 KCNH2 (0.74) KCNH2SLC2A1
SCHEMBL3688156 0.84 KCNH2 (0.74) KCNH2SLC2A1
SCHEMBL3695760 0.84 CLK4 (0.46) KCNH2CLK4MTNR1AMTNR1BALDH1A1
SCHEMBL13146374 0.81 KCNH2 (0.58) PDE5AKCNH2MCHR1
SCHEMBL3687332 0.78 KCNH2 (0.65) KCNH2SLC2A1
SCHEMBL3697253 0.78 MTNR1A (0.45) KCNH2SLC2A1MTNR1AMTNR1B

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 PDE5A 1973/4885KCNH2 2411/4885CLK4 4215/4885

“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.