SCHEMBL4074978

SCHEMBL4074978

COc1ccc2nccc(N3CCN(CCN)CC3)c2c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 2/20 0.65
EHMT2 Q96KQ7 2/20 0.48
EHMT1 Q9H9B1 2/20 0.48
GAA P10253 1/20 0.48
KCNH2 Q12809 3/20 0.46
DRD3 P35462 2/20 0.46
CYP3A4 P08684 1/20 0.46
CHRM1 P11229 1/20 0.46
OPRK1 P41145 1/20 0.46
PDE4D Q08499 1/20 0.46
PDE3A Q14432 1/20 0.46
HRH3 Q9Y5N1 1/20 0.46
HSD17B10 Q99714 1/20 0.45
RAD52 P43351 1/20 0.45
HTR1A P08908 3/20 0.44
DRD2 P14416 1/20 0.44
HTR2A P28223 1/20 0.44
KDM4E B2RXH2 1/20 0.44
ADRA1D P25100 1/20 0.43
ADRA1A P35348 1/20 0.43

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
SCHEMBL27894576 0.92 NCF1 (0.66) NCF1EHMT2EHMT1GAAKCNH2
Hydrochloric Acid SCHEMBL11755574 0.87 NCF1 (0.63) NCF1EHMT2EHMT1GAAKCNH2
SCHEMBL4069344 0.82 NCF1 (0.43) NCF1EHMT2EHMT1GAAKCNH2
SCHEMBL4066233 0.81 NCF1 (0.62) NCF1GAAKCNH2HTR1AKDM4E
Hydrochloric Acid SCHEMBL11754088 0.81 NCF1 (0.55) NCF1EHMT2EHMT1GAAKCNH2
Nitric Acid SCHEMBL11754098 0.81 NCF1 (0.55) NCF1EHMT2EHMT1GAAKCNH2
SCHEMBL5754730 0.79 SLC2A1 (0.56) KCNH2CYP3A4HSD17B10KDM4E
SCHEMBL6636311 0.79 NCF1 (1.00) NCF1GAACYP3A4HSD17B10HTR1A
SCHEMBL11756721 0.79 GAA (0.57) NCF1EHMT2EHMT1GAAKCNH2
SCHEMBL4064039 0.78 NCF1 (0.53) NCF1GAADRD3CYP3A4HSD17B10

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 4/4885EHMT2 4668/4885EHMT1 4661/4885

“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.