SCHEMBL4069110

SCHEMBL4069110

COc1ccc2nccc(N3CCCN(CCNS(=O)(=O)c4ccc5c(c4)NC(=O)CS5)CC3)c2n1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 2/20 0.43
HTR6 P50406 1/20 0.43
KMT2A Q03164 2/20 0.42
ATM Q13315 1/20 0.41
HTR1A P08908 1/20 0.41
ADRA2A P08913 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
GFER P55789 1/20 0.40
POLB P06746 1/20 0.40
GAA P10253 1/20 0.39

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
Hydrochloric Acid SCHEMBL4064063 0.99 HTR7 (0.43) HTR7HTR6KMT2AATMHTR1A
SCHEMBL4070565 0.97 HTR7 (0.45) HTR7HTR6KMT2AATMHTR1A
SCHEMBL4065150 0.87 ATM (0.44) KMT2AATMGFERPOLBGAA
SCHEMBL4065505 0.86 KMT2A (0.42) KMT2AATMGFERPOLBGAA
SCHEMBL4075026 0.84 POLB (0.40) HTR7HTR6KMT2AHTR1ASIGMAR1
SCHEMBL3171788 0.84 KMT2A (0.41) KMT2AATMGFERPOLB
SCHEMBL3162871 0.82 ATM (0.41) KMT2AATMGFERPOLB
SCHEMBL4064276 0.81 KCNH2 (0.40)
Hydrochloric Acid SCHEMBL5905791 0.80 KCNH2 (0.40)
SCHEMBL14453294 0.80 KCNH2 (0.43) ATM

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 HTR7 3553/4885HTR6 3788/4885KMT2A 4446/4885

“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.