SCHEMBL4282950

SCHEMBL4282950

COc1cccc(C(=O)Nc2cn(C3CCCCO3)nc2C(=O)NCCC#N)c1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.45
ALDH1A1 P00352 5/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
GFER P55789 1/20 0.40
PREP P48147 1/20 0.40
TAS2R8 Q9NYW2 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.39
TSHR P16473 1/20 0.39

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
SCHEMBL4288476 0.91 KMT2A (0.43) HPGDALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL4287284 0.91 HPGD (0.42) HPGDALDH1A1NPC1RAB9ACYP2C9
SCHEMBL4279713 0.91 CREBBP (0.38) HPGDSMN1; SMN2RAB9AL3MBTL1LMNA
SCHEMBL4288807 0.89 RORC (0.42)
SCHEMBL4289272 0.89 CD274 (0.41) HPGDALDH1A1SMN1; SMN2RAB9AGAA
SCHEMBL4288766 0.85 CD274 (0.42) HPGDALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL4285433 0.83 CD274 (0.38) HPGDSMN1; SMN2RAB9A
SCHEMBL4288206 0.83 IRAK4 (0.37)
SCHEMBL4279659 0.82 SMN1; SMN2 (0.41) HPGDALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL4288832 0.82 MAPK14 (0.40) NPC1RAB9AKMT2A

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 HPGD 2563/4885ALDH1A1 694/4885SMN1; 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.