SCHEMBL4253480

SCHEMBL4253480

CCOC(=O)C(CC)c1ccnn(Cc2ccccc2C(C)(C)C)c1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.40
TSHR P16473 1/20 0.38
NPBWR1 P48145 3/20 0.37
LMNA P02545 3/20 0.36
HPGD P15428 1/20 0.36
ALOX15 P16050 1/20 0.36
KDM4E B2RXH2 1/20 0.35
CNR2 P34972 1/20 0.35
EPHX2 P34913 3/20 0.35
PPARG P37231 2/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
NPSR1 Q6W5P4 2/20 0.35
MEN1 O00255 1/20 0.35
POLB P06746 1/20 0.35
RAB9A P51151 1/20 0.35
BLM P54132 1/20 0.35
KMT2A Q03164 1/20 0.35
GPR35 Q9HC97 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35

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
SCHEMBL4260200 0.90 NPBWR1 (0.48) ALDH1A1NPBWR1KDM4EEPHX2PPARG
SCHEMBL4252764 0.86 ALDH1A1 (0.53) ALDH1A1TSHRLMNAHPGDALOX15
SCHEMBL4257857 0.86 NPBWR1 (0.45) ALDH1A1TSHRNPBWR1LMNAHPGD
SCHEMBL8224521 0.85 NPBWR1 (0.35) NPBWR1LMNASMN1; SMN2NPSR1MEN1
SCHEMBL4256493 0.83 NPBWR1 (0.52) NPBWR1LMNAHPGDKMT2A
SCHEMBL4256751 0.82 ALDH1A1 (0.47) ALDH1A1NPBWR1KDM4ESMN1; SMN2MEN1
SCHEMBL4255715 0.79 NPBWR1 (0.39) ALDH1A1NPBWR1LMNAHPGDKDM4E
SCHEMBL4566221 0.79 NPBWR1 (0.37) NPBWR1CNR2SMN1; SMN2NPSR1MEN1
SCHEMBL4255996 0.78 CACNA1B (0.35) NPBWR1
SCHEMBL4252839 0.76 NPBWR1 (0.47) ALDH1A1NPBWR1HPGDMEN1KMT2A

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 3705/4885TSHR 4747/4885NPBWR1 4356/4885

“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.