SCHEMBL4537398

SCHEMBL4537398

Ic1ccc2nc(OCCCN3CCCC3)ccc2c1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SCN7A Q01118 1/20 0.52
MEN1 O00255 1/20 0.50
MAPT P10636 1/20 0.50
KMT2A Q03164 1/20 0.50
EHMT2 Q96KQ7 1/20 0.48
EHMT1 Q9H9B1 1/20 0.48
HRH3 Q9Y5N1 4/20 0.47
PIR O00625 1/20 0.46
ACP1 P24666 1/20 0.44
TLR9 Q9NR96 1/20 0.43
TLR7 Q9NYK1 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
SCHEMBL4536226 0.93 SCN7A (0.58) SCN7AMEN1MAPTKMT2AEHMT2
SCHEMBL16620884 0.84 SCN7A (0.52) SCN7AMEN1MAPTKMT2AEHMT2
SCHEMBL16621242 0.83 SCN7A (0.54) SCN7AMEN1MAPTKMT2AEHMT2
Hydrochloric Acid SCHEMBL18109870 0.79 PIR (0.53) SCN7AMEN1MAPTKMT2AHRH3
Hydrochloric Acid SCHEMBL18109874 0.78 PIR (0.54) SCN7AHRH3PIR
SCHEMBL4532061 0.77 HDAC1 (0.38) SCN7AMEN1MAPTKMT2A
SCHEMBL16621374 0.77 SCN7A (0.58) SCN7AMEN1MAPTKMT2AEHMT2
SCHEMBL4541853 0.76 SCN7A (0.44) SCN7AMEN1MAPTKMT2A
SCHEMBL16621435 0.76 SCN7A (0.60) SCN7AMEN1MAPTKMT2AHRH3
SCHEMBL25997216 0.76 HRH3 (0.68) HRH3

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
US-20090264426-A1 Bicyclic aromatic substituted pyridone derivative MSD K.K. (JP) 2009-10-22 US disclosed
US-20090264426-A1 Bicyclic aromatic substituted pyridone derivative MSD K.K. (JP) 2009-10-22 US disclosed
US-20090264426-A1 Bicyclic aromatic substituted pyridone derivative MSD K.K. (JP) 2009-10-22 US disclosed
EP-1939194-A1 BICYCLIC AROMATIC SUBSTITUTED PYRIDONE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2008-07-02 EP disclosed
EP-1939194-A1 BICYCLIC AROMATIC SUBSTITUTED PYRIDONE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2008-07-02 EP 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-20090264426-A1 Bicyclic aromatic substituted pyridone derivative PYCR1, CHRM1, MTR SCN7A 4125/4885MEN1 183/4885MAPT 4595/4885

“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.