SCHEMBL4258913

SCHEMBL4258913

CCOC(=O)C(CC)c1ccn[nH]c1=O

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.43
TSHR P16473 1/20 0.40
JMJD6 Q6NYC1 1/20 0.39
NAMPT P43490 1/20 0.38
ALDH1A1 P00352 5/20 0.37
POLB P06746 1/20 0.37
KMT2A Q03164 3/20 0.36
GAA P10253 3/20 0.36
HPGD P15428 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
KDM4E B2RXH2 2/20 0.35
ACACB O00763 1/20 0.35
MEN1 O00255 2/20 0.34
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP4F2 P78329 1/20 0.33
CYP4A11 Q02928 1/20 0.33

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
SCHEMBL24878811 0.73 TSHR (0.37) PKMTSHRPOLBKMT2AGAA
SCHEMBL1623326 0.72 ALDH1A1 (0.51) PKMTSHRJMJD6NAMPTALDH1A1
SCHEMBL4256005 0.70 LMNA (0.38) PKMALDH1A1POLBKMT2AGAA
SCHEMBL28532831 0.68 CYP19A1 (0.49) PKMNAMPTPOLBKMT2AGAA
SCHEMBL2603744 0.68 ALDH1A1 (0.35) ALDH1A1POLBKMT2ASMN1; SMN2KDM4E
SCHEMBL4256751 0.68 ALDH1A1 (0.47) ALDH1A1POLBKMT2ASMN1; SMN2KDM4E
SCHEMBL7722451 0.67 TSHR (0.52) TSHRKMT2AGAAHPGDSMN1; SMN2
SCHEMBL4257857 0.66 NPBWR1 (0.45) TSHRALDH1A1POLBKMT2AGAA
SCHEMBL2052901 0.66 JMJD6 (0.52) PKMTSHRJMJD6NAMPTALDH1A1
SCHEMBL17168998 0.66 KCNQ2 (0.46) TSHRALDH1A1POLBKMT2AGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8481537-B2 Caspase inhibitors based of pyridazinone scaffold LG LIFE SCIENCES LTD. (KR) 2013-07-09 US disclosed
US-20090291959-A1 CASPASE INHIBITORS BASED OF PYRIDAZINONE SCAFFOLD LG LIFE SCIENCES LTD. (KR) 2009-11-26 US disclosed
EP-2046757-A1 CASPASE INHIBITORS BASED ON PYRIDAZINONE SCAFFOLD LG Life Sciences Ltd. (KR) 2009-04-15 EP disclosed
WO-2008016239-A1 CASPASE INHIBITORS BASED ON PYRIDAZINONE SCAFFOLD LG LIFE SCIENCES LTD. (KR) 2008-02-07 WO 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-20090291959-A1 CASPASE INHIBITORS BASED OF PYRIDAZINONE SCAFFOLD CASP1, CASP2, CASP5 PKM 1333/4885TSHR 4747/4885JMJD6 2603/4885

“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.