SCHEMBL3687844

SCHEMBL3687844

COc1ccc2ncnc(CCC3(O)CCC(NCC=Cc4ccco4)CC3)c2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 4/20 0.43
MTNR1B P49286 4/20 0.43
IRAK4 Q9NWZ3 2/20 0.36
KMT2A Q03164 4/20 0.34
MEN1 O00255 3/20 0.34
ALDH1A1 P00352 3/20 0.34
MAPT P10636 2/20 0.34
HTT P42858 2/20 0.34
GAA P10253 1/20 0.34
POLB P06746 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
KCNH2 Q12809 5/20 0.33
USP2 O75604 1/20 0.33
LMNA P02545 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33

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
SCHEMBL5647167 1.00 MTNR1A (0.43) MTNR1AMTNR1BIRAK4KMT2AMEN1
SCHEMBL3689911 0.87 MTNR1A (0.46) MTNR1AMTNR1BIRAK4KCNH2EGFR
SCHEMBL5648828 0.87 MTNR1A (0.46) MTNR1AMTNR1BIRAK4KCNH2EGFR
SCHEMBL3692130 0.79 MTNR1A (0.51) MTNR1AMTNR1BIRAK4KCNH2EGFR
SCHEMBL3699153 0.76 KCNH2 (0.44) MTNR1AMTNR1BKCNH2
SCHEMBL3695760 0.76 CLK4 (0.46) MTNR1AMTNR1BIRAK4ALDH1A1KCNH2
SCHEMBL3699150 0.76 KCNH2 (0.44) MTNR1AMTNR1BKCNH2
SCHEMBL3694275 0.76 MTNR1B (0.54) MTNR1AMTNR1BIRAK4MAPTEGFR
SCHEMBL3697253 0.75 MTNR1A (0.45) MTNR1AMTNR1BIRAK4KCNH2EGFR
SCHEMBL3691384 0.75 KCNH2 (0.58) MTNR1AMTNR1BKCNH2

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 5 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
EP-1551829-A2 NOVEL COMPOUNDS WITH ANTIBACTERIAL ACTIVITY Morphochem Aktiengesellschaft Für Kombinatorische Chemie (DE) 2005-07-13 EP disclosed
WO-2004035569-A2 NOVEL COMPOUNDS WITH ANTIBACTERIAL ACTIVITY Morphochem Aktiengesellschaft für kombinatorische Chemie (DE) 2004-04-29 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-20060040949-A1 Novel compounds with antibacterial activity MRPL21, Q6ZSR9, MRPL19 MTNR1A 3313/4885MTNR1B 2889/4885IRAK4 2532/4885

“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.