SCHEMBL4565138

SCHEMBL4565138

CCC(Oc1nc2ccccc2cc1-c1ccccc1)N1CCCC1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.50
ALDH1A1 P00352 6/20 0.50
L3MBTL1 Q9Y468 4/20 0.50
TDP1 Q9NUW8 3/20 0.50
HPGD P15428 4/20 0.43
MAPT P10636 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
BCL2 P10415 4/20 0.41
MCL1 Q07820 4/20 0.41
BCL2A1 Q16548 4/20 0.41
BCL2L1 Q07817 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
ATM Q13315 3/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
LMNA P02545 1/20 0.39
AKT1 P31749 1/20 0.39
HRH3 Q9Y5N1 1/20 0.36

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
SCHEMBL4564978 0.84 ALDH1A1 (0.53) KDM4EALDH1A1L3MBTL1TDP1HPGD
SCHEMBL7094351 0.71 ALDH1A1 (0.43) KDM4EALDH1A1L3MBTL1HPGDMAPT
SCHEMBL12130607 0.71 MEN1 (0.43) KDM4EMEN1KMT2A
SCHEMBL5163007 0.70 POLB (0.44) KDM4EALDH1A1MEN1KMT2ALMNA
SCHEMBL28905014 0.69 BTK (0.57) KDM4EALDH1A1L3MBTL1TDP1HPGD
SCHEMBL9283467 0.68 KMT2A (0.44) KDM4EALDH1A1HPGDMAPTNPSR1
SCHEMBL9283477 0.68 CHRM4 (0.49) ALDH1A1L3MBTL1MAPTNPSR1MEN1
SCHEMBL10650658 0.68 SCN1A (0.48) KDM4EALDH1A1MEN1KMT2A
SCHEMBL9285777 0.68 CHRM4 (0.48) ALDH1A1L3MBTL1MAPTNPSR1MEN1
SCHEMBL9285771 0.68 KMT2A (0.44) KDM4EALDH1A1HPGDMAPTNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7511065-B2 Mixed lineage kinase modulators ELI LILLY AND COMPANY (US) 2009-03-31 US disclosed
US-20080113977-A1 Mixed Lineage Kinase Modulators ELI LILLY AND COMPANY 2008-05-15 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-20080113977-A1 Mixed Lineage Kinase Modulators MYLK2, CSNK1G2, CSNK1A1 KDM4E 2001/4885ALDH1A1 3779/4885L3MBTL1 1766/4885

“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.