SCHEMBL4068487

SCHEMBL4068487

COc1ccc2nccc(N3CCN(CCO)CC3)c2n1

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
EHMT2 Q96KQ7 2/20 0.41
EHMT1 Q9H9B1 2/20 0.41
KCNH2 Q12809 7/20 0.41
CYP8B1 Q9UNU6 1/20 0.40
CSF1R P07333 1/20 0.39
KIT P10721 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
SCHEMBL4069340 0.88 KCNH2 (0.42) EHMT2EHMT1KCNH2
SCHEMBL4069756 0.86 KCNH2 (0.41) EHMT2EHMT1KCNH2
Hydrochloric Acid SCHEMBL4069318 0.83 EHMT2 (0.46) EHMT2EHMT1KCNH2CYP8B1
SCHEMBL5780773 0.81 KCNH2 (0.38) EHMT2EHMT1KCNH2CYP8B1
SCHEMBL16986085 0.81 KCNH2 (0.40) KCNH2
SCHEMBL1223381 0.81 KCNH2 (0.40) KCNH2
SCHEMBL16986089 0.81 KCNH2 (0.40) KCNH2
SCHEMBL4071024 0.81 CYP8B1 (0.45) KCNH2CYP8B1
SCHEMBL4070008 0.81 KCNH2 (0.44) EHMT2EHMT1KCNH2CYP8B1
SCHEMBL4068537 0.80 CYP8B1 (0.41) EHMT2EHMT1KCNH2CYP8B1

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 6 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 disclosed
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 EHMT2 4668/4885EHMT1 4661/4885KCNH2 3365/4885

“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.