SCHEMBL5444221

SCHEMBL5444221

COc1cnc2cccc(C(O)CN3C4CCC3CC(NC/C=C/c3ccccn3)C4)c2c1

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 8/20 0.37
KCNH2 Q12809 2/20 0.36
MTNR1A P48039 1/20 0.35
MTNR1B P49286 1/20 0.35
LMNA P02545 1/20 0.34
POLB P06746 1/20 0.33

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
SCHEMBL5444230 1.00 SLC2A1 (0.37) SLC2A1KCNH2MTNR1AMTNR1BLMNA
SCHEMBL5317252 0.91 MTNR1A (0.36) SLC2A1KCNH2MTNR1AMTNR1B
SCHEMBL5317247 0.91 MTNR1A (0.36) SLC2A1KCNH2MTNR1AMTNR1B
SCHEMBL3780351 0.88 KCNH2 (0.48) SLC2A1KCNH2MTNR1AMTNR1B
SCHEMBL3780360 0.88 KCNH2 (0.48) SLC2A1KCNH2MTNR1AMTNR1B
SCHEMBL3697142 0.81 SLC2A1 (0.47) SLC2A1KCNH2
SCHEMBL3697147 0.81 SLC2A1 (0.47) SLC2A1KCNH2
SCHEMBL5264168 0.79 MTNR1B (0.41) SLC2A1KCNH2MTNR1AMTNR1B
SCHEMBL5426776 0.79 KMT2A (0.44) SLC2A1MTNR1AMTNR1B
SCHEMBL3688107 0.78 KCNH2 (0.47) SLC2A1KCNH2

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 SLC2A1 4714/4885KCNH2 3363/4885MTNR1A 4243/4885

“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.