SCHEMBL5430770

SCHEMBL5430770

COc1cnc2ccc(Cl)c(C(O)CN3CCCC(CNC/C=C/c4ccccc4)C3)c2n1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.36
BCHE P06276 1/20 0.32
ACHE P22303 1/20 0.32
SLC2A1 P11166 2/20 0.32
S1PR1 P21453 3/20 0.32
S1PR3 Q99500 2/20 0.32
ALDH1A1 P00352 1/20 0.31
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
SLC6A3 Q01959 1/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
KDM4E B2RXH2 1/20 0.31

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
SCHEMBL5430773 1.00 KCNH2 (0.36) KCNH2BCHEACHESLC2A1S1PR1
SCHEMBL5267677 0.83 SLC2A1 (0.47) KCNH2SLC2A1
SCHEMBL5267681 0.83 SLC2A1 (0.47) KCNH2SLC2A1
SCHEMBL5441479 0.83 KCNH2 (0.40) KCNH2SLC2A1ALDH1A1MEN1KMT2A
SCHEMBL5441471 0.83 KCNH2 (0.40) KCNH2SLC2A1ALDH1A1MEN1KMT2A
SCHEMBL5263439 0.82 KCNH2 (0.40) KCNH2ACHESLC2A1
SCHEMBL5445713 0.79 SUV39H2 (0.40) KCNH2ALDH1A1
SCHEMBL5316283 0.78 CXCR4 (0.43) KCNH2SLC2A1
SCHEMBL5432619 0.78 KCNH2 (0.48) KCNH2SLC2A1
SCHEMBL5439543 0.78 KCNH2 (0.58) KCNH2SLC2A1

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
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

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 3363/4885BCHE 1813/4885ACHE 2561/4885

“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.