SCHEMBL4284040

SCHEMBL4284040

CC(=O)Nc1cccc(C(=O)Nc2cn(C3CCCCO3)nc2C(=O)O)c1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.46
SMYD3 Q9H7B4 1/20 0.43
ALDH1A1 P00352 1/20 0.42
ATM Q13315 1/20 0.42
CLK1 P49759 1/20 0.41
RAB9A P51151 3/20 0.41
LMNA P02545 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
KMT2A Q03164 3/20 0.40
NPC1 O15118 2/20 0.40
MEN1 O00255 2/20 0.40
CREBBP Q92793 1/20 0.40
HPGD P15428 1/20 0.39
FGFR1 P11362 1/20 0.39
DDR2 Q16832 1/20 0.39
MAPK1 P28482 1/20 0.39
APEX1 P27695 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
ROCK2 O75116 1/20 0.38

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
SCHEMBL4279778 0.91 POLB (0.44) POLBSMYD3ALDH1A1ATMCLK1
SCHEMBL4281132 0.86 HTT (0.42) POLBALDH1A1ATMRAB9ALMNA
SCHEMBL22236075 0.81 HDAC1 (0.45) ALDH1A1LMNAL3MBTL1KMT2AMEN1
SCHEMBL4287690 0.79 HTT (0.46) POLBALDH1A1RAB9ALMNAL3MBTL1
SCHEMBL4289295 0.79 RORC (0.45)
SCHEMBL4279713 0.77 CREBBP (0.38) POLBSMYD3ATMRAB9ALMNA
SCHEMBL4283174 0.77 MAPT (0.45) POLBALDH1A1RAB9ALMNAL3MBTL1
SCHEMBL3579675 0.74 CDK2 (0.40) RAB9AKMT2ANPC1MEN1SMN1; SMN2
SCHEMBL30134079 0.74 CNR2 (0.38) ALDH1A1RAB9AKMT2ANPC1MEN1
SCHEMBL4287284 0.74 HPGD (0.42) ALDH1A1RAB9ALMNAKMT2ANPC1

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 POLB 3501/4885SMYD3 1232/4885ALDH1A1 694/4885

“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.