SCHEMBL4256833

SCHEMBL4256833

CCOC(=O)Cc1ccnn(COC)c1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.42
SMN1; SMN2 Q16637 4/20 0.40
ALDH1A1 P00352 4/20 0.39
KMT2A Q03164 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
HPGD P15428 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
TP53 P04637 1/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38
G6PD P11413 1/20 0.38
ALOX15 P16050 1/20 0.38
ALOX12 P18054 1/20 0.38
MPI P34949 1/20 0.38
CACNA1B Q00975 1/20 0.38
RUNX1 Q01196 1/20 0.38
APBA1 Q02410 1/20 0.38
CBFB Q13951 1/20 0.38
HSD17B10 Q99714 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
SCHEMBL4254713 0.81 ALDH1A1 (0.59) RECQLSMN1; SMN2ALDH1A1KMT2AMEN1
SCHEMBL27772598 0.77 ALDH1A1 (0.35) RECQLSMN1; SMN2ALDH1A1KMT2ATDP1
SCHEMBL4255564 0.76 ALDH1A1 (0.44) RECQLSMN1; SMN2ALDH1A1KMT2ATDP1
SCHEMBL27751884 0.76 ALDH1A1 (0.36) SMN1; SMN2ALDH1A1KMT2AHPGDMEN1
SCHEMBL4256005 0.76 LMNA (0.38) SMN1; SMN2ALDH1A1KMT2AHPGDKDM4E
SCHEMBL30872566 0.73 KDM4E (0.41) SMN1; SMN2ALDH1A1KMT2AHPGDKDM4E
SCHEMBL27772592 0.70 GAA (0.38) SMN1; SMN2ALDH1A1KMT2AHPGDMEN1
SCHEMBL2823777 0.67 MAPK1 (0.51) SMN1; SMN2ALDH1A1KMT2AKDM4EMEN1
SCHEMBL8221283 0.67 PKM (0.51) SMN1; SMN2ALDH1A1KMT2ATDP1HPGD
SCHEMBL22664421 0.66 SMN1; SMN2 (0.47) RECQLSMN1; SMN2ALDH1A1KMT2AHPGD

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 10 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-8481537-B2 Caspase inhibitors based of pyridazinone scaffold LG LIFE SCIENCES LTD. (KR) 2013-07-09 US disclosed
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
US-20090291959-A1 CASPASE INHIBITORS BASED OF PYRIDAZINONE SCAFFOLD LG LIFE SCIENCES LTD. (KR) 2009-11-26 US disclosed
US-20090291959-A1 CASPASE INHIBITORS BASED OF PYRIDAZINONE SCAFFOLD LG LIFE SCIENCES LTD. (KR) 2009-11-26 US disclosed
WO-2009100982-A1 METAL DEACTIVATING POLYMER COMPOSITION BOREALIS TECHNOLOGY OY (FI) 2009-08-20 WO 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
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 RECQL 1637/4885SMN1; SMN2 2343/4885ALDH1A1 3705/4885

“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.