SCHEMBL4564978

SCHEMBL4564978

CC(Oc1nc2ccccc2cc1-c1ccccc1)N1CCCC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.53
KDM4E B2RXH2 7/20 0.53
L3MBTL1 Q9Y468 5/20 0.53
TDP1 Q9NUW8 4/20 0.53
HPGD P15428 4/20 0.46
MAPT P10636 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
ATM Q13315 3/20 0.44
LMNA P02545 1/20 0.44
NPSR1 Q6W5P4 1/20 0.43
BCL2 P10415 3/20 0.39
MCL1 Q07820 3/20 0.39
BCL2A1 Q16548 3/20 0.39
BCL2L1 Q07817 1/20 0.39
AKT1 P31749 1/20 0.38
GAA P10253 1/20 0.38
MAPK1 P28482 1/20 0.38
PDE10A Q9Y233 1/20 0.37

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
SCHEMBL4565138 0.84 KDM4E (0.50) ALDH1A1KDM4EL3MBTL1TDP1HPGD
Hydrochloric Acid SCHEMBL22261649 0.77 KDM4E (0.39) ALDH1A1KDM4EL3MBTL1TDP1HPGD
SCHEMBL8828015 0.72 KMT2A (0.41) ALDH1A1KDM4EL3MBTL1HPGDSMN1; SMN2
SCHEMBL28905014 0.72 BTK (0.57) ALDH1A1KDM4EL3MBTL1TDP1HPGD
SCHEMBL5480000 0.71 KDR (0.42) ALDH1A1KDM4EHPGDMAPTMEN1
SCHEMBL1146379 0.71 ALDH1A1 (0.53) ALDH1A1KDM4EL3MBTL1HPGDMAPT
SCHEMBL1146479 0.70 ALDH1A1 (0.52) ALDH1A1KDM4EL3MBTL1HPGDMAPT
SCHEMBL28179721 0.70 RAB9A (0.43) L3MBTL1MAPTSMN1; SMN2KMT2ALMNA
SCHEMBL4258084 0.69 LRRK2 (0.47) ALDH1A1SMN1; SMN2MAPK1
SCHEMBL6632600 0.69 ALOX15 (0.50) ALDH1A1SMN1; SMN2MEN1KMT2ALMNA

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 ALDH1A1 3779/4885KDM4E 2001/4885L3MBTL1 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.