SCHEMBL5113246

SCHEMBL5113246

CCOC(=O)c1cc(OC(C)C)nn1Cc1ccc2ccccc2n1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.44
POLB P06746 1/20 0.44
PTGDR2 Q9Y5Y4 1/20 0.43
TDP1 Q9NUW8 4/20 0.42
CYP1A2 P05177 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
RAB9A P51151 2/20 0.41
MAPT P10636 1/20 0.40
AKR1B1 P15121 1/20 0.40
CYSLTR1 Q9Y271 4/20 0.40
CYSLTR2 Q9NS75 2/20 0.40
GPBAR1 Q8TDU6 1/20 0.39
MEN1 O00255 1/20 0.38
PRNP P04156 1/20 0.38
KMT2A Q03164 1/20 0.38
NOD2 Q9HC29 1/20 0.38
NOD1 Q9Y239 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
SCHEMBL5109080 0.82 CYSLTR2 (0.46) PTGDR2CYP1A2MAPTCYSLTR1CYSLTR2
SCHEMBL5105338 0.78 CYP1A2 (0.40) PTGDR2CYP1A2AKR1B1CYSLTR1CYSLTR2
SCHEMBL5106908 0.78 CYSLTR1 (0.46) PTGDR2AKR1B1CYSLTR1CYSLTR2GPBAR1
SCHEMBL5120863 0.75 PPARG (0.40) PTGDR2CYP1A2AKR1B1CYSLTR1CYSLTR2
SCHEMBL12584503 0.74 NOD2 (0.64) SMN1; SMN2POLBTDP1MAPTCYSLTR1
SCHEMBL5120280 0.71 CYSLTR1 (0.50) PTGDR2MAPTAKR1B1CYSLTR1CYSLTR2
SCHEMBL5106653 0.70 SMN1; SMN2 (0.49) SMN1; SMN2POLBTDP1CYP1A2RAB9A
SCHEMBL3615800 0.69 NOD2 (0.52) SMN1; SMN2POLBPTGDR2TDP1MAPT
SCHEMBL28553196 0.68 KDM4E (0.46) SMN1; SMN2POLBTDP1CYP1A2L3MBTL1
SCHEMBL5112901 0.68 CYSLTR1 (0.53) CYSLTR1CYSLTR2GPBAR1

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 SMN1; SMN2 3876/4885POLB 4079/4885PTGDR2 2631/4885

“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.