SCHEMBL4536226

SCHEMBL4536226

Ic1ccc2nc(OCCN3CCCC3)ccc2c1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SCN7A Q01118 1/20 0.58
MEN1 O00255 1/20 0.58
MAPT P10636 1/20 0.58
KMT2A Q03164 1/20 0.58
PIR O00625 2/20 0.46
BRAF P15056 1/20 0.46
GSK3B P49841 1/20 0.46
HSF1 Q00613 1/20 0.46
LTA4H P09960 1/20 0.43
SIGMAR1 Q99720 2/20 0.43
EHMT2 Q96KQ7 1/20 0.41
EHMT1 Q9H9B1 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
NPC1 O15118 1/20 0.40
TSHR P16473 1/20 0.40
RAB9A P51151 1/20 0.40

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
SCHEMBL4537398 0.93 SCN7A (0.52) SCN7AMEN1MAPTKMT2APIR
SCHEMBL16621374 0.84 SCN7A (0.58) SCN7AMEN1MAPTKMT2APIR
SCHEMBL4541853 0.83 SCN7A (0.44) SCN7AMEN1MAPTKMT2ALTA4H
SCHEMBL16621435 0.83 SCN7A (0.60) SCN7AMEN1MAPTKMT2APIR
SCHEMBL16621316 0.81 MEN1 (0.58) SCN7AMEN1MAPTKMT2APIR
SCHEMBL25715589 0.81 SCN7A (0.55) SCN7AMEN1MAPTKMT2APIR
SCHEMBL25274425 0.80 SCN7A (0.54) SCN7AMEN1MAPTKMT2APIR
SCHEMBL6575812 0.79 MEN1 (0.86) SCN7AMEN1MAPTKMT2ALTA4H
SCHEMBL31033194 0.79 MEN1 (0.86) SCN7AMEN1MAPTKMT2ALTA4H
Hydrochloric Acid SCHEMBL16621382 0.79 SCN7A (0.53) SCN7AMEN1MAPTKMT2APIR

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.