SCHEMBL5744510

SCHEMBL5744510

COc1ccc2ncc(F)c(CCN3CCC(N)CC3)c2c1

nearest known ligand 0.62

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 13/20 0.62
SLC2A1 P11166 3/20 0.56
SSTR2 P30874 1/20 0.45
HTR1A P08908 1/20 0.44
SLC6A4 P31645 1/20 0.44

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
SCHEMBL5747539 0.87 KCNH2 (0.49) KCNH2SLC2A1HTR1ASLC6A4
SCHEMBL5744249 0.87 KCNH2 (0.49) KCNH2SLC2A1SSTR2HTR1ASLC6A4
Hydrochloric Acid SCHEMBL5746922 0.86 KCNH2 (0.48) KCNH2SLC2A1SSTR2HTR1ASLC6A4
SCHEMBL3274709 0.86 KCNH2 (0.56) KCNH2SLC2A1HTR1ASLC6A4
SCHEMBL5744944 0.85 KCNH2 (0.46) KCNH2SLC2A1SSTR2
SCHEMBL5746290 0.84 SLC2A1 (0.51) KCNH2SLC2A1HTR1ASLC6A4
SCHEMBL5746181 0.80 KCNH2 (0.58) KCNH2SLC2A1
SCHEMBL3277573 0.80 KCNH2 (0.53) KCNH2SLC2A1
SCHEMBL5747793 0.79 KCNH2 (0.53) KCNH2SLC2A1
SCHEMBL5258211 0.79 KCNH2 (0.54) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1578743-A4 ANTIBACTERIAL AGENTS GLAXO GROUP LTD (GB) 2006-11-29 EP disclosed
US-20060041123-A1 Antibacterial agents GLAXO GROUP LIMITED (GB) 2006-02-23 US disclosed
EP-1578743-A2 ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED (GB) 2005-09-28 EP disclosed
WO-2004058144-A2 ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED (GB) 2004-07-15 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-20060041123-A1 Antibacterial agents NQO2, NRDC, IFNG KCNH2 3365/4885SLC2A1 4409/4885SSTR2 4859/4885

“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.