SCHEMBL4284348

SCHEMBL4284348

O=C(Nc1cn(C2CCCCO2)nc1C(=O)NCCCOc1ccccc1)c1ccccn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
POLB P06746 1/20 0.42
MAPT P10636 1/20 0.42
GRM4 Q14833 1/20 0.40
KMT2A Q03164 2/20 0.38
HTT P42858 2/20 0.38
HPGD P15428 1/20 0.38
MEN1 O00255 1/20 0.38
PKM P14618 1/20 0.38
EPHX2 P34913 1/20 0.38
IRAK4 Q9NWZ3 1/20 0.38
ALDH1A1 P00352 2/20 0.38
HTR1A P08908 1/20 0.37
HTR2A P28223 1/20 0.37
DRD3 P35462 1/20 0.37
KDM4E B2RXH2 1/20 0.37
KDM4C Q9H3R0 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL4293881 0.91 POLB (0.46) SMN1; SMN2NPC1RAB9APOLBMAPT
SCHEMBL4286893 0.90 MAPT (0.41) SMN1; SMN2POLBMAPTGRM4KMT2A
SCHEMBL4285697 0.89 POLB (0.48) SMN1; SMN2NPC1RAB9APOLBMAPT
SCHEMBL4285457 0.88 POLB (0.41) SMN1; SMN2NPC1RAB9APOLBMAPT
SCHEMBL4294914 0.87 POLB (0.43) SMN1; SMN2NPC1RAB9APOLBMAPT
SCHEMBL4285473 0.86 SMN1; SMN2 (0.45) SMN1; SMN2POLBMAPTGRM4KMT2A
SCHEMBL4284570 0.86 IRAK4 (0.43) SMN1; SMN2NPC1RAB9APOLBMAPT
SCHEMBL4287113 0.86 MAPT (0.43) SMN1; SMN2NPC1RAB9APOLBMAPT
SCHEMBL4290861 0.86 MAPT (0.43) SMN1; SMN2NPC1RAB9APOLBMAPT
SCHEMBL4283174 0.85 MAPT (0.45) SMN1; SMN2NPC1RAB9APOLBMAPT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090156582-A1 Pyrazole Compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-18 US disclosed
WO-2009072062-A2 NOVEL DERIVATIVES OF DIHYDROXYPYRROLIDINE AS ANTI-CANCER COMPOUNDS ECOLE POLYTECHNIQUE FEDERALE DE LAUSANNE (EPFL) (CH) 2009-06-11 WO disclosed
EP-1847531-A1 PYRAZOLE COMPOUND Takeda Pharmaceutical Company Limited (JP) 2007-10-24 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-20090156582-A1 Pyrazole Compound GSK3B, GSK3A, GSKIP SMN1; SMN2 4064/4885NPC1 1266/4885RAB9A 291/4885

“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.