SCHEMBL4564979

SCHEMBL4564979

CCOc1c(-c2ccccc2)nc2ccccc2c1N1CCCC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 5/20 0.50
KDM4E B2RXH2 4/20 0.50
ALDH1A1 P00352 2/20 0.50
LMNA P02545 2/20 0.49
HPGD P15428 1/20 0.49
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
MAPT P10636 2/20 0.47
NPSR1 Q6W5P4 2/20 0.47
HTT P42858 1/20 0.47
ACP1 P24666 2/20 0.44
GAA P10253 2/20 0.44
TACR3 P29371 1/20 0.43
TP53 P04637 1/20 0.43
NCF1 P14598 1/20 0.43
ACHE P22303 1/20 0.43
USP2 O75604 1/20 0.41
TSHR P16473 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
POLB P06746 1/20 0.41

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
SCHEMBL4565139 0.90 TP53 (0.52) L3MBTL1KDM4EALDH1A1LMNAHPGD
SCHEMBL10863962 0.70 L3MBTL1 (0.61) L3MBTL1KDM4EALDH1A1LMNAHPGD
SCHEMBL8827951 0.70 MEN1 (0.46) L3MBTL1KDM4EALDH1A1LMNAHPGD
SCHEMBL3349292 0.69 POLB (0.61) L3MBTL1KDM4EALDH1A1HPGDMEN1
SCHEMBL29488275 0.69 POLB (0.61) L3MBTL1KDM4EALDH1A1HPGDMEN1
Ammonia Solution, Strong SCHEMBL2417496 0.68 ELANE (0.46) L3MBTL1KDM4EALDH1A1LMNAHPGD
SCHEMBL10287059 0.68 POLB (0.46) L3MBTL1KDM4EALDH1A1HPGDMEN1
SCHEMBL27616510 0.67 CYP1A2 (0.56) L3MBTL1KDM4EALDH1A1HPGDMEN1
SCHEMBL22694397 0.67 SCN9A (0.71) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL6331041 0.67 ALDH1A1 (1.00) L3MBTL1KDM4EALDH1A1LMNAHPGD

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 L3MBTL1 1766/4885KDM4E 2001/4885ALDH1A1 3779/4885

“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.