SCHEMBL4480342

SCHEMBL4480342

CC(C)(C)OC(=O)NCCN(C=O)c1cc[c]cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
MAPT P10636 1/20 0.40
CKS1B P61024 1/20 0.39
SKP1 P63208 1/20 0.39
SKP2 Q13309 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
BCHE P06276 1/20 0.38
CA1 P00915 7/20 0.38
CA2 P00918 7/20 0.38
CA12 O43570 5/20 0.38
CA9 Q16790 5/20 0.38
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
MALT1 Q9UDY8 1/20 0.37
IDO1 P14902 1/20 0.37
MEN1 O00255 1/20 0.37
GAA P10253 1/20 0.37
KMT2A Q03164 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
SCHEMBL4482157 0.74 MEN1 (0.41) KDM4EMAPTTDP1CA1CA2
SCHEMBL1382636 0.74 CA2 (0.52) MAPTTDP1BCHECA1CA2
SCHEMBL3040743 0.72 DGAT1 (0.49) TDP1BCHECA1CA2CA12
SCHEMBL23389127 0.72 LMNA (0.42) KDM4EMAPTIDO1GAA
SCHEMBL27518163 0.72 TDP1 (0.46) CKS1BSKP1SKP2TDP1CA1
SCHEMBL22121386 0.72 HDAC3 (0.44) KDM4ENPC1RAB9AMAPTCKS1B
SCHEMBL3160972 0.71 CA12 (0.64) NPC1RAB9ATDP1BCHECA1
SCHEMBL23563390 0.71 TDP1 (0.49) CKS1BSKP1SKP2TDP1CA1
SCHEMBL3038307 0.70 TDP1 (0.49) NPC1RAB9ATDP1CA1CA2
SCHEMBL3160188 0.70 CA12 (0.64) TDP1CA1CA2CA12CA9

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 2001/4885NPC1 2787/4885RAB9A 1942/4885

“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.