SCHEMBL5316579

SCHEMBL5316579

O=C(O)C1CCCC(CNCc2ccc3c(c2)OCCO3)C1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 1/20 0.47
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 1/20 0.44
KMT2A Q03164 4/20 0.43
MEN1 O00255 3/20 0.43
TP53 P04637 1/20 0.43
KDM1A O60341 2/20 0.43
MAOA P21397 2/20 0.43
MAOB P27338 2/20 0.43
CXCR4 P61073 1/20 0.43
POLB P06746 1/20 0.41
ALKBH5 Q6P6C2 1/20 0.41
FTO Q9C0B1 1/20 0.41

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
SCHEMBL5264469 0.93 KMT2A (0.51) ALDH1A1KMT2AMEN1TP53CXCR4
SCHEMBL8225463 0.80 CXCR4 (0.55) KDM4EALDH1A1KMT2AMEN1CXCR4
SCHEMBL5316143 0.80 PARP1 (0.58) ALDH1A1KMT2AMAOA
SCHEMBL5264155 0.80 KDM4E (0.37) KDM4E
SCHEMBL5267702 0.78 ALDH1A1 (0.43) ALDH1A1KMT2AMEN1POLB
SCHEMBL5266220 0.76 L3MBTL1 (0.41) KDM4EALDH1A1KMT2AMEN1TP53
SCHEMBL1526850 0.75 NPY5R (0.47) NPY5RKDM4EALDH1A1KMT2AMEN1
SCHEMBL5648991 0.75 NPY5R (0.47) NPY5RKDM4EALDH1A1KMT2AMEN1
SCHEMBL6245276 0.75 NPY5R (0.47) NPY5RKDM4EALDH1A1KMT2AMEN1
SCHEMBL5261735 0.74 LTA4H (0.57) KDM4EALDH1A1KMT2AMEN1TP53

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1799676-A2 NEW BICYCLIC ANTIBIOTICS Actelion Pharmaceuticals Ltd. (CH) 2007-06-27 EP claimed
WO-2006032466-A2 NEW BICYCLIC ANTIBIOTICS ACTELION PHARMACEUTICALS LTD (CH) 2006-03-30 WO claimed
US-20070244103-A1 Novel Compounds Having an Anti-Bacterial Activity MORPHOCHEM AKTIENGESELLSCHAFT FUR KOMBINATORISCHE CHEMIE (DE) 2007-10-18 US disclosed
EP-1799676-A2 NEW BICYCLIC ANTIBIOTICS Actelion Pharmaceuticals Ltd. (CH) 2007-06-27 EP disclosed
EP-1781650-A1 NOVEL COMPOUNDS HAVING AN ANTI-BACTERIAL ACTIVITY Morphochem Aktiengesellschaft Für Kombinatorische Chemie (DE) 2007-05-09 EP disclosed
WO-2006032466-A2 NEW BICYCLIC ANTIBIOTICS ACTELION PHARMACEUTICALS LTD (CH) 2006-03-30 WO disclosed
WO-2006021448-A1 NOVEL COMPOUNDS HAVING AN ANTI-BACTERIAL ACTIVITY Morphochem Aktiengesellschaft für kombinatorische Chemie (DE) 2006-03-02 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-20070244103-A1 Novel Compounds Having an Anti-Bacterial Activity TOP1, TOP2A, TOP2B NPY5R 4024/4885KDM4E 2755/4885ALDH1A1 3625/4885

“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.