SCHEMBL4069331

SCHEMBL4069331

COc1ccc2nccc(N3CCC(CCN(C)S(=O)(=O)c4ccc5c(c4)NC(=O)CS5)CC3)c2n1

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.39
POLB P06746 1/20 0.38
GFER P55789 1/20 0.37
KMT2A Q03164 1/20 0.36
ATM Q13315 1/20 0.35

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
SCHEMBL13949220 0.92 GAA (0.43) GAAPOLBGFERKMT2AATM
SCHEMBL4075026 0.89 POLB (0.40) GAAPOLBGFERKMT2A
SCHEMBL4065150 0.87 ATM (0.44) GAAPOLBGFERKMT2AATM
SCHEMBL4067780 0.79 CYP8B1 (0.38)
SCHEMBL4070565 0.79 HTR7 (0.45) GAAPOLBGFERKMT2AATM
SCHEMBL3162871 0.78 ATM (0.41) POLBGFERKMT2AATM
SCHEMBL3171788 0.78 KMT2A (0.41) POLBGFERKMT2AATM
SCHEMBL4069110 0.76 HTR7 (0.43) GAAPOLBGFERKMT2AATM
SCHEMBL4065505 0.76 KMT2A (0.42) GAAPOLBGFERKMT2AATM
Hydrochloric Acid SCHEMBL4064063 0.76 HTR7 (0.43) GAAPOLBGFERKMT2AATM

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1605938-B1 Antibacterial derivatives of napthydrin and quinoline GLAXO GROUP LTD (GB) 2009-02-11 EP claimed
EP-1605938-A4 ANTIBACTERIAL AGENTS GLAXO GROUP LTD (GB) 2006-11-22 EP claimed
US-20060189601-A1 Antibacterial agents GLAXO GROUP LIMITED (GB) 2006-08-24 US claimed
EP-1605938-A2 ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED (GB) 2005-12-21 EP claimed
WO-2004087145-A2 ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED (GB) 2004-10-14 WO claimed
EP-1605938-B1 Antibacterial derivatives of napthydrin and quinoline GLAXO GROUP LTD (GB) 2009-02-11 EP disclosed
EP-1605938-A4 ANTIBACTERIAL AGENTS GLAXO GROUP LTD (GB) 2006-11-22 EP disclosed
US-20060189601-A1 Antibacterial agents GLAXO GROUP LIMITED (GB) 2006-08-24 US disclosed
EP-1605938-A2 ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED (GB) 2005-12-21 EP disclosed
WO-2004087145-A2 ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED (GB) 2004-10-14 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-20060189601-A1 Antibacterial agents NQO2, NRDC, IFNG GAA 314/4885POLB 301/4885GFER 4042/4885

“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.