SCHEMBL5121653

SCHEMBL5121653

COC(=O)c1ccc(OC(C)C)nc1Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.41
SMN1; SMN2 Q16637 5/20 0.41
NPC1 O15118 4/20 0.41
MAPT P10636 1/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
LMNA P02545 2/20 0.41
ABL1 P00519 1/20 0.41
KDM4E B2RXH2 3/20 0.39
TSHR P16473 2/20 0.39
TUBB4A P04350 1/20 0.38
TUBB P07437 1/20 0.38
TUBA3C P0DPH7 1/20 0.38
TUBA1B P68363 1/20 0.38
TUBA4A P68366 1/20 0.38
TUBB4B P68371 1/20 0.38
TUBB3 Q13509 1/20 0.38
TUBB2A Q13885 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
SCHEMBL26127640 0.86 SMN1; SMN2 (0.40) RAB9ASMN1; SMN2NPC1MAPTNFKB1
SCHEMBL31042446 0.86 SMN1; SMN2 (0.40) RAB9ASMN1; SMN2NPC1MAPTNFKB1
SCHEMBL5119859 0.84 ALDH1A1 (0.49) RAB9ASMN1; SMN2NPC1LMNATSHR
SCHEMBL391203 0.83 POLB (0.50) RAB9ASMN1; SMN2NPC1MAPTNFKB1
SCHEMBL19440689 0.83 NPC1 (0.48) RAB9ASMN1; SMN2NPC1MAPTNFKB1
SCHEMBL29453741 0.78 EGFR (0.50) RAB9ASMN1; SMN2NPC1MAPTNFKB1
SCHEMBL334079 0.78 EGFR (0.50) RAB9ASMN1; SMN2NPC1MAPTNFKB1
SCHEMBL5114620 0.78 TDP1 (0.43) RAB9ASMN1; SMN2NPC1MAPTNFKB1
SCHEMBL424747 0.76 TUBB4A (0.54) RAB9ASMN1; SMN2NPC1MAPTNFKB1
SCHEMBL29450481 0.76 TUBB4A (0.54) RAB9ASMN1; SMN2NPC1MAPTNFKB1

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-20080051418-A1 Arylalkanoic Acid Derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-02-28 US disclosed
EP-1829863-A1 ARYLALKANOIC ACID DERIVATIVE Takeda Pharmaceutical Company Limited (JP) 2007-09-05 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-20080051418-A1 Arylalkanoic Acid Derivative INSR, NPY1R, GPR119 RAB9A 3734/4885SMN1; SMN2 3876/4885NPC1 2819/4885

“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.