SCHEMBL5318465

SCHEMBL5318465

COc1cnc2cccc(C(O)CN3CCCC(CNCc4ccc5c(c4)OCO5)C3)c2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.52
LMNA P02545 2/20 0.42
GAA P10253 1/20 0.42
MCHR1 Q99705 6/20 0.42
RAB9A P51151 2/20 0.41
PDE5A O76074 1/20 0.40
CXCR4 P61073 1/20 0.40
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
ALOX12 P18054 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
TP53 P04637 2/20 0.39
CLK4 Q9HAZ1 1/20 0.39
HTR1A P08908 1/20 0.39

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
SCHEMBL1527047 0.96 KCNH2 (0.57) KCNH2LMNAGAAMCHR1RAB9A
SCHEMBL1526894 0.96 KCNH2 (0.57) KCNH2LMNAGAAMCHR1RAB9A
SCHEMBL14514800 0.89 KCNH2 (0.66) KCNH2LMNAMCHR1RAB9APDE5A
SCHEMBL5433187 0.86 HTR1A (0.48) KCNH2HTR1AHTR7
SCHEMBL5426592 0.86 KCNH2 (0.42) KCNH2GAAMCHR1ALDH1A1MAPT
SCHEMBL5439267 0.85 KCNH2 (0.47) KCNH2
SCHEMBL13145884 0.85 KCNH2 (0.72) KCNH2MCHR1
SCHEMBL13145883 0.85 KCNH2 (0.72) KCNH2MCHR1
SCHEMBL3695779 0.85 KCNH2 (0.72) KCNH2MCHR1
SCHEMBL5427041 0.84 KCNH2 (0.49) KCNH2LMNAGAAMCHR1RAB9A

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
US-20070244103-A1 Novel Compounds Having an Anti-Bacterial Activity MORPHOCHEM AKTIENGESELLSCHAFT FUR KOMBINATORISCHE CHEMIE (DE) 2007-10-18 US disclosed
US-20070244103-A1 Novel Compounds Having an Anti-Bacterial Activity MORPHOCHEM AKTIENGESELLSCHAFT FUR KOMBINATORISCHE CHEMIE (DE) 2007-10-18 US disclosed
US-20070244103-A1 Novel Compounds Having an Anti-Bacterial Activity MORPHOCHEM AKTIENGESELLSCHAFT FUR KOMBINATORISCHE CHEMIE (DE) 2007-10-18 US disclosed
CN-101035785-A Novel compounds having an anti-bacterial activity MORPHOCHEM AG KOMB CHEMIE (DE) 2007-09-12 CN 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 KCNH2 3363/4885LMNA 971/4885GAA 238/4885

“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.