SCHEMBL5430646

SCHEMBL5430646

COc1ccc2ncc(Cl)c(C(O)CN3C4CCC3CC(NCC=Cc3ccccc3)C4)c2c1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 7/20 0.38
ALDH1A1 P00352 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
SLC2A1 P11166 1/20 0.38
SIGMAR1 Q99720 2/20 0.37
SLC18A3 Q16572 1/20 0.37
MCHR1 Q99705 2/20 0.35
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
HTR2B P41595 1/20 0.34

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
SCHEMBL5430642 1.00 KCNH2 (0.38) KCNH2ALDH1A1L3MBTL1SLC2A1SIGMAR1
SCHEMBL3697142 0.85 SLC2A1 (0.47) KCNH2ALDH1A1SLC2A1
SCHEMBL3697147 0.85 SLC2A1 (0.47) KCNH2ALDH1A1SLC2A1
SCHEMBL5317252 0.84 MTNR1A (0.36) KCNH2ALDH1A1L3MBTL1SLC2A1SIGMAR1
SCHEMBL5317247 0.84 MTNR1A (0.36) KCNH2ALDH1A1L3MBTL1SLC2A1SIGMAR1
SCHEMBL5317431 0.83 KCNH2 (0.41) KCNH2ALDH1A1L3MBTL1SLC2A1SIGMAR1
SCHEMBL5432729 0.80 KCNH2 (0.39) KCNH2ALDH1A1SLC2A1SIGMAR1SLC18A3
SCHEMBL5316423 0.79 MCHR1 (0.45) KCNH2SLC2A1MCHR1
SCHEMBL5430572 0.79 KCNH2 (0.46) KCNH2SLC2A1
SCHEMBL5441471 0.79 KCNH2 (0.40) KCNH2ALDH1A1L3MBTL1SLC2A1MCHR1

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 1 patent. 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

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 3363/4885ALDH1A1 3625/4885L3MBTL1 822/4885

“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.