SCHEMBL4066233

SCHEMBL4066233

COc1ccc2nccc(N3CCC(CCN)CC3)c2c1

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 2/20 0.62
ENPP1 P22413 2/20 0.51
CHRM4 P08173 1/20 0.47
KMT2A Q03164 2/20 0.46
GAA P10253 1/20 0.44
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
KCNH2 Q12809 3/20 0.43
KDM4E B2RXH2 1/20 0.43
ROCK2 O75116 1/20 0.42
ROCK1 Q13464 1/20 0.42
CDC42BPB Q9Y5S2 1/20 0.42
HTR1A P08908 1/20 0.42
ADRA1D P25100 1/20 0.42
ADRA1A P35348 1/20 0.42
ADRA1B P35368 1/20 0.42
F10 P00742 2/20 0.42
MTNR1B P49286 1/20 0.41
ACVR1 Q04771 1/20 0.41

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
SCHEMBL1223790 0.86 NCF1 (0.59) NCF1ENPP1CHRM4KMT2AGAA
SCHEMBL20775302 0.85 ENPP1 (0.68) NCF1ENPP1HTR1A
SCHEMBL4066842 0.83 ENPP1 (0.46) NCF1ENPP1CHRM4KMT2AGAA
SCHEMBL22441530 0.82 NCF1 (0.60) NCF1ENPP1CHRM4KMT2AGAA
SCHEMBL22445512 0.82 NCF1 (0.60) NCF1ENPP1CHRM4KMT2AGAA
SCHEMBL4074978 0.81 NCF1 (0.65) NCF1GAAKCNH2KDM4EHTR1A
SCHEMBL22445591 0.80 NCF1 (0.66) NCF1CHRM4KMT2AGAAMEN1
SCHEMBL1223420 0.80 NCF1 (0.62) NCF1CHRM4KMT2AGAAMEN1
SCHEMBL1223418 0.80 NCF1 (0.62) NCF1CHRM4KMT2AGAAMEN1
SCHEMBL4065882 0.80 NCF1 (0.52) NCF1ENPP1KMT2AMEN1ALDH1A1

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 5 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-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 NCF1 4/4885ENPP1 577/4885CHRM4 4474/4885

“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.