SCHEMBL4262945

SCHEMBL4262945

CCOc1cc(OCC)cc(C(N)=O)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 1/20 0.66
TSHR P16473 2/20 0.61
LMNA P02545 1/20 0.53
HTT P42858 1/20 0.53
NCOA1 Q15788 1/20 0.50
NCOA3 Q9Y6Q9 1/20 0.50
BPTF Q12830 1/20 0.50
MAPK1 P28482 1/20 0.50
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
ALDH1A1 P00352 1/20 0.46
PRSS1 P07477 3/20 0.46
PRSS2 P07478 3/20 0.46
PRSS3 P35030 3/20 0.46
PLA2G2A P14555 1/20 0.44
F2 P00734 1/20 0.44
ST14 Q9Y5Y6 1/20 0.44
PARP1 P09874 1/20 0.44
CHEK2 O96017 1/20 0.43
F10 P00742 1/20 0.43

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
SCHEMBL20758871 0.96 PARP10 (0.66) PARP10TSHRLMNAHTTNCOA1
SCHEMBL32662332 0.89 PARP10 (0.58) PARP10TSHRLMNAHTTNCOA1
SCHEMBL22946249 0.89 PARP10 (0.58) PARP10TSHRLMNAHTTNCOA1
SCHEMBL9636205 0.87 PARP10 (0.56) PARP10TSHRLMNAHTTNCOA1
SCHEMBL28995855 0.86 PARP10 (0.54) PARP10TSHRLMNAHTTNCOA1
SCHEMBL6836738 0.84 PLA2G2A (0.54) PARP10TSHRLMNAHTTMAPK1
SCHEMBL17414620 0.82 PLA2G2A (0.62) PARP10TSHRPLA2G2A
SCHEMBL2705442 0.81 PARP1 (0.66) PARP10LMNAHTTMAPK1MEN1
SCHEMBL16958804 0.81 PARP10 (0.58) PARP10TSHRLMNAHTTNCOA1
SCHEMBL9701615 0.81 KMT2A (0.59) PARP10TSHRLMNAMEN1KMT2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1730122-A2 PYRIMIDINE DERIVATIVES AND METHODS OF TREATMENT RELATED TO THE USE THEREOF TAISHO PHARMACEUTICAL CO., LTD (JP) 2006-12-13 EP claimed
WO-2005095357-A2 PYRIMIDINE DERIVATIVES AND METHODS OF TREATMENT RELATED TO THE USE THEREOF TAISHO PHARMACEUTICAL CO., LTD. (JP) 2005-10-13 WO claimed
US-20090036448-A1 PYRIMIDINE DERIVATIVES AND METHODS OF TREATMENT RELATED TO THE USE THEREOF TAISHO PHARMECUTICAL CO., LTD. (JP) 2009-02-05 US 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-20090036448-A1 PYRIMIDINE DERIVATIVES AND METHODS OF TREATMENT RELATED TO THE USE THEREOF GPR119, HCRTR2, MCHR1 PARP10 2566/4885TSHR 319/4885LMNA 2888/4885

“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.