SCHEMBL3183997

SCHEMBL3183997

CCCC(C(=O)NC(CC(=O)OC(C)(C)C)C(=O)CF)c1cccn(Cc2ccccc2)c1=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.38
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
MAPT P10636 3/20 0.38
RECQL P46063 1/20 0.38
CASP3 P42574 5/20 0.38
CASP7 P55210 2/20 0.38
CASP8 Q14790 2/20 0.38
BRD4 O60885 2/20 0.38
BRD2 P25440 1/20 0.37
BRD3 Q15059 1/20 0.37
BRDT Q58F21 1/20 0.37
REN P00797 1/20 0.36
ALDH1A1 P00352 5/20 0.35
POLB P06746 3/20 0.35
LMNA P02545 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
HPGD P15428 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
RAB9A P51151 1/20 0.34

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
SCHEMBL3182350 0.93 KDM4E (0.39) KDM4EMEN1KMT2AMAPTRECQL
SCHEMBL3175794 0.89 CASP3 (0.46) KDM4EMEN1KMT2AMAPTRECQL
SCHEMBL3181740 0.87 CASP3 (0.41) KDM4EMEN1KMT2AMAPTRECQL
SCHEMBL3177183 0.82 CRHBP (0.37) CASP3CASP7CASP8BRD4CASP9
SCHEMBL3183117 0.82 ALDH1A1 (0.34) KDM4EMEN1KMT2ACASP3CASP7
SCHEMBL3166284 0.81 CASP3 (0.47) KDM4EMEN1KMT2AMAPTRECQL
SCHEMBL3964779 0.79 CASP3 (0.37) CASP3CASP7CASP8RENCTSK
SCHEMBL4258250 0.79 CASP3 (0.38) MEN1KMT2ACASP3CASP7CASP8
SCHEMBL8205974 0.75 BRD4 (0.47) KDM4EMEN1KMT2AMAPTRECQL
SCHEMBL4258853 0.75 NPBWR1 (0.38) KDM4EMEN1KMT2ACASP3CASP7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100016376-A1 CASPASE INHIBITORS BASED ON PYRIDONE SCAFFOLD LG LIFE SCIENCES LTD. (KR) 2010-01-21 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-20100016376-A1 CASPASE INHIBITORS BASED ON PYRIDONE SCAFFOLD CASP1, CASP5, CASP2 KDM4E 1345/4885MEN1 3320/4885KMT2A 4046/4885

“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.