SCHEMBL5449377

SCHEMBL5449377

CCOc1ccc(/C=C2\C(=O)NN(c3ccccc3)C2=O)cc1OC

nearest known ligand 0.78

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 6/20 0.78
KMT2A Q03164 13/20 0.76
GAA P10253 6/20 0.76
ALDH1A1 P00352 5/20 0.76
MAPT P10636 5/20 0.76
LMNA P02545 2/20 0.76
MEN1 O00255 9/20 0.63
L3MBTL1 Q9Y468 1/20 0.63
TDP1 Q9NUW8 2/20 0.62
NPSR1 Q6W5P4 2/20 0.62
CASP6 P55212 1/20 0.62
GFER P55789 1/20 0.61
CSNK2A2 P19784 1/20 0.59
CSNK2B P67870 1/20 0.59
CSNK2A1 P68400 1/20 0.59
DYRK1A Q13627 4/20 0.58
HPGD P15428 2/20 0.56
ALOX12 P18054 1/20 0.54

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
SCHEMBL5449380 1.00 POLB (0.78) POLBKMT2AGAAALDH1A1MAPT
SCHEMBL5445717 0.88 KMT2A (0.61) POLBKMT2AGAAALDH1A1MAPT
SCHEMBL5445714 0.88 KMT2A (0.61) POLBKMT2AGAAALDH1A1MAPT
SCHEMBL5445737 0.84 POLB (0.67) POLBKMT2AGAAALDH1A1MAPT
SCHEMBL5445740 0.84 POLB (0.67) POLBKMT2AGAAALDH1A1MAPT
SCHEMBL5447376 0.83 KMT2A (0.74) POLBKMT2AGAAALDH1A1MAPT
SCHEMBL5447373 0.83 KMT2A (0.74) POLBKMT2AGAAALDH1A1MAPT
SCHEMBL15936932 0.83 DYRK1A (0.81) POLBKMT2AGAAALDH1A1MAPT
SCHEMBL15936955 0.83 POLB (0.58) POLBKMT2AGAAALDH1A1MAPT
SCHEMBL5453405 0.82 KMT2A (0.68) POLBKMT2AGAAALDH1A1MAPT

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-20070037846-A1 Pyrazolidinedione derivatives ACTELION PHARMACEUTICALS, LTD. (CH) 2007-02-15 US claimed
US-20070037846-A1 Pyrazolidinedione derivatives ACTELION PHARMACEUTICALS, LTD. (CH) 2007-02-15 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-20070037846-A1 Pyrazolidinedione derivatives P2RY1, P2RY4, P2RY2 POLB 4499/4885KMT2A 4413/4885GAA 3492/4885

“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.