SCHEMBL4285540

SCHEMBL4285540

O=C(Nc1cn(C2CCCCO2)nc1C(=O)NCCSc1ccccn1)c1ccccn1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.43
RAB9A P51151 4/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.41
LMNA P02545 3/20 0.41
TP53 P04637 1/20 0.40
IRAK4 Q9NWZ3 3/20 0.39
GRM4 Q14833 1/20 0.38
HPGD P15428 1/20 0.38
ALDH1A1 P00352 1/20 0.37
KMT2A Q03164 1/20 0.37
CD274 Q9NZQ7 1/20 0.35
GRM5 P41594 1/20 0.35
EPHX2 P34913 1/20 0.34
PKM P14618 1/20 0.34

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
SCHEMBL4285697 0.88 POLB (0.48) NPC1RAB9ASMN1; SMN2POLBMAPT
SCHEMBL4293881 0.86 POLB (0.46) NPC1RAB9ASMN1; SMN2POLBMAPT
SCHEMBL4284570 0.85 IRAK4 (0.43) NPC1RAB9ASMN1; SMN2POLBMAPT
SCHEMBL4287113 0.85 MAPT (0.43) NPC1RAB9ASMN1; SMN2POLBMAPT
SCHEMBL4294914 0.85 POLB (0.43) NPC1RAB9ASMN1; SMN2POLBMAPT
SCHEMBL4290861 0.85 MAPT (0.43) NPC1RAB9ASMN1; SMN2POLBMAPT
SCHEMBL4286893 0.85 MAPT (0.41) SMN1; SMN2POLBMAPTIRAK4GRM4
SCHEMBL4284348 0.84 SMN1; SMN2 (0.44) NPC1RAB9ASMN1; SMN2POLBMAPT
SCHEMBL4285457 0.84 POLB (0.41) NPC1RAB9ASMN1; SMN2POLBMAPT
SCHEMBL4284336 0.83 MAPT (0.44) NPC1RAB9ASMN1; SMN2NFKB1NFKB2

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 2 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
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 NPC1 1266/4885RAB9A 291/4885SMN1; SMN2 4064/4885

“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.