SCHEMBL5435565

SCHEMBL5435565

COc1cnc2cccc(C(O)CN3CCCC(CN)C3)c2n1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.40
SLC2A1 P11166 4/20 0.39
GAA P10253 1/20 0.34
CD274 Q9NZQ7 1/20 0.34
GHSR Q92847 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ADORA2A P29274 2/20 0.33
KDM2B Q8NHM5 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
SCHEMBL5319073 0.86 KCNH2 (0.51) KCNH2SLC2A1KDM2B
SCHEMBL5263439 0.84 KCNH2 (0.40) KCNH2SLC2A1KDM2B
SCHEMBL5264505 0.83 IRAK1 (0.42) KCNH2SLC2A1CD274
SCHEMBL4495706 0.82 KCNH2 (0.47) KCNH2SLC2A1
SCHEMBL5266900 0.81 SLC2A1 (0.40) KCNH2SLC2A1KDM4EKDM2B
SCHEMBL5265408 0.81 KCNH2 (0.40) KCNH2SLC2A1CD274
SCHEMBL3272105 0.80 KCNH2 (0.55) KCNH2SLC2A1
SCHEMBL3273252 0.80 KCNH2 (0.55) KCNH2SLC2A1
SCHEMBL5436003 0.80 KCNH2 (0.48) KCNH2SLC2A1KDM4E
SCHEMBL5262148 0.80 KCNH2 (0.59) 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 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 3363/4885SLC2A1 4714/4885GAA 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.