SCHEMBL3687859

SCHEMBL3687859

COc1ccc2ncnc(C#CC3(O)CCC4(CC3)OCCO4)c2c1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.42
LMNA P02545 1/20 0.41
MTNR1B P49286 3/20 0.39
MTNR1A P48039 2/20 0.39
MAPT P10636 1/20 0.39
GRM1 Q13255 1/20 0.39
IRAK4 Q9NWZ3 2/20 0.38
EGFR P00533 2/20 0.37
CES2 O00748 1/20 0.37
KDM4E B2RXH2 2/20 0.37
POLB P06746 1/20 0.37
CSF1R P07333 2/20 0.37
MMP14 P50281 1/20 0.36
ATM Q13315 1/20 0.36
MAPK1 P28482 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL13145569 0.75 MTNR1B (0.55) ALDH1A1LMNAMTNR1BMTNR1AMAPT
SCHEMBL3695758 0.67 KCNH2 (0.35) MMP14ATM
SCHEMBL3689688 0.67 ALDH1A1 (0.42) ALDH1A1LMNAMTNR1BMTNR1ACES2
SCHEMBL2150625 0.66 POLB (0.54) ALDH1A1MAPTCES2KDM4EPOLB
SCHEMBL2150604 0.66 ALDH1A1 (0.43) ALDH1A1MAPTKDM4EPOLBMAPK1
SCHEMBL14539369 0.66 ALDH1A1 (0.45) ALDH1A1LMNAKDM4EMAPK1NPSR1
SCHEMBL30337987 0.66 NCF1 (0.65) ALDH1A1LMNAMAPTCES2KDM4E
SCHEMBL22395599 0.65 ALDH1A1 (0.56) ALDH1A1LMNAMAPTCES2KDM4E
SCHEMBL28394647 0.64 MAPT (0.56) LMNAMTNR1BMTNR1AMAPTGRM1
SCHEMBL22395854 0.64 ALDH1A1 (0.68) ALDH1A1LMNAMAPTCES2KDM4E

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 ALDH1A1 2434/4885LMNA 4060/4885MTNR1B 2889/4885

“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.