SCHEMBL5264469

SCHEMBL5264469

O=C(O)C1CCCC(CNCc2ccc3c(c2)OCO3)C1

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.51
MEN1 O00255 5/20 0.51
TP53 P04637 1/20 0.51
CXCR4 P61073 1/20 0.50
POLB P06746 1/20 0.49
HPGD P15428 2/20 0.47
RAB9A P51151 2/20 0.47
ALDH1A1 P00352 1/20 0.47
TSHR P16473 1/20 0.47
NPC1 O15118 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL5316579 0.93 NPY5R (0.47) KMT2AMEN1TP53CXCR4POLB
SCHEMBL8225463 0.88 CXCR4 (0.55) KMT2AMEN1CXCR4POLBHPGD
SCHEMBL5316143 0.80 PARP1 (0.58) KMT2AALDH1A1TSHR
SCHEMBL5267702 0.78 ALDH1A1 (0.43) KMT2AMEN1POLBALDH1A1
SCHEMBL179017 0.77 CXCR4 (0.46) KMT2AMEN1CXCR4POLBHPGD
SCHEMBL28351204 0.76 ALDH1A1 (0.69) KMT2AMEN1TP53POLBALDH1A1
SCHEMBL5266220 0.76 L3MBTL1 (0.41) KMT2AMEN1TP53POLBHPGD
SCHEMBL5261492 0.73 HTT (0.45) KMT2AMEN1POLBHPGDRAB9A
SCHEMBL2043178 0.73 MEN1 (0.61) KMT2AMEN1TP53HPGDRAB9A
SCHEMBL5264155 0.73 KDM4E (0.37) RAB9ANPC1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070244103-A1 Novel Compounds Having an Anti-Bacterial Activity MORPHOCHEM AKTIENGESELLSCHAFT FUR KOMBINATORISCHE CHEMIE (DE) 2007-10-18 US disclosed
EP-1781650-A1 NOVEL COMPOUNDS HAVING AN ANTI-BACTERIAL ACTIVITY Morphochem Aktiengesellschaft Für Kombinatorische Chemie (DE) 2007-05-09 EP 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 KMT2A 2689/4885MEN1 3863/4885TP53 3220/4885

“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.