SCHEMBL5263796

SCHEMBL5263796

COc1ccc2ncc(Cl)c(C(O)CN3CCOC(CN)C3)c2c1

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.40
DRD4 P21917 11/20 0.40
KCNH2 Q12809 2/20 0.38
KDM4E B2RXH2 1/20 0.37
MAPT P10636 1/20 0.37
HSD17B10 Q99714 1/20 0.37

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
SCHEMBL5439501 0.83 SLC2A1 (0.40) SLC2A1KCNH2
SCHEMBL5427562 0.83 SLC2A1 (0.42) SLC2A1KCNH2MAPTHSD17B10
SCHEMBL3691982 0.83 KCNH2 (0.54) SLC2A1KCNH2KDM4EHSD17B10
SCHEMBL5264059 0.82 KCNH2 (0.39) SLC2A1DRD4KCNH2
SCHEMBL5430610 0.82 KCNH2 (0.52) SLC2A1KCNH2KDM4EMAPT
SCHEMBL5437843 0.82 KCNH2 (0.40) SLC2A1DRD4KCNH2
SCHEMBL5264066 0.82 KCNH2 (0.39) SLC2A1DRD4KCNH2
SCHEMBL5265631 0.81 KCNH2 (0.48) SLC2A1KCNH2KDM4EMAPT
SCHEMBL5265635 0.78 DRD4 (0.36) SLC2A1DRD4KCNH2MAPT
SCHEMBL5437838 0.78 KCNH2 (0.33) 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
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 SLC2A1 4714/4885DRD4 2226/4885KCNH2 3363/4885

“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.