SCHEMBL4257569

SCHEMBL4257569

CCOC(=O)C(CC)c1ccnn(Cc2cccc(C)c2)c1=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.51
HTT P42858 3/20 0.51
LMNA P02545 3/20 0.51
CYP3A4 P08684 2/20 0.51
CYP1A2 P05177 1/20 0.51
CYP2C19 P33261 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
NPBWR1 P48145 1/20 0.47
KMT2A Q03164 5/20 0.46
SMN1; SMN2 Q16637 4/20 0.45
HPGD P15428 3/20 0.45
MEN1 O00255 3/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
MAPK1 P28482 2/20 0.41
IDO1 P14902 1/20 0.41
TDO2 P48775 1/20 0.41
POLB P06746 2/20 0.39
MAPT P10636 4/20 0.39
ALOX15 P16050 1/20 0.38
KDM4E B2RXH2 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
SCHEMBL4255663 0.89 KMT2A (0.54) ALDH1A1HTTLMNACYP3A4CYP1A2
SCHEMBL4260164 0.89 CYP19A1 (0.48) ALDH1A1HTTLMNACYP3A4CYP1A2
SCHEMBL4256751 0.88 ALDH1A1 (0.47) ALDH1A1NPBWR1KMT2ASMN1; SMN2MEN1
SCHEMBL4255683 0.88 PKM (0.47) ALDH1A1LMNANPBWR1KMT2AMEN1
SCHEMBL4255715 0.87 NPBWR1 (0.39) ALDH1A1HTTLMNACYP3A4CYP1A2
SCHEMBL4253857 0.86 NPBWR1 (0.49) ALDH1A1LMNACYP1A2CYP2C19NPSR1
SCHEMBL4252839 0.84 NPBWR1 (0.47) ALDH1A1HTTNPBWR1KMT2AHPGD
SCHEMBL8214047 0.79 ALDH1A1 (0.44) ALDH1A1HTTLMNACYP3A4CYP1A2
SCHEMBL4257857 0.79 NPBWR1 (0.45) ALDH1A1LMNACYP3A4CYP1A2CYP2C19
SCHEMBL4252764 0.79 ALDH1A1 (0.53) ALDH1A1LMNACYP3A4CYP1A2CYP2C19

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 ALDH1A1 3705/4885HTT 3351/4885LMNA 114/4885

“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.