SCHEMBL4887057

SCHEMBL4887057

NCCCCC(NC(=O)Cn1cnc2c(NC(=O)c3ccccc3)ncnc21)C(=O)Nc1ccc(CC2(C(N)=O)CCCCC2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 2/20 0.38
▸ HDAC4 P56524 2/20 0.36
▸ MEF2D Q14814 2/20 0.36
▸ PLG P00747 1/20 0.36
▸ HDAC1 Q13547 7/20 0.35
▸ HDAC2 Q92769 4/20 0.35
▸ CTSB P07858 1/20 0.34
▸ CALCRL Q16602 1/20 0.34
▸ EGFR P00533 1/20 0.34
▸ JAK2 O60674 1/20 0.34
▸ JAK3 P52333 1/20 0.34
▸ HDAC6 Q9UBN7 1/20 0.34
▸ PRSS1 P07477 2/20 0.33
▸ PRSS2 P07478 2/20 0.33
▸ PRSS3 P35030 2/20 0.33
▸ ITGB1 P05556 1/20 0.33
▸ ITGA4 P13612 1/20 0.33
▸ PRMT6 Q96LA8 1/20 0.33
▸ CA2 P00918 1/20 0.33
▸ CA4 P22748 1/20 0.33

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
SCHEMBL4887066 0.85 TDP1 (0.42) TDP1HDAC4MEF2DPLGHDAC1
SCHEMBL4887047 0.84 PLG (0.43) TDP1PLGHDAC1HDAC2
SCHEMBL4887077 0.74 PLG (0.45) PLGHDAC1CTSBCALCRLHDAC6
SCHEMBL4885605 0.73 KDM1A (0.47) PLGCALCRLITGB1ITGA4
SCHEMBL4886967 0.72 CHRNB2 (0.47) PLGCALCRLCA2CA4CA9
SCHEMBL4884651 0.72 NTMT1 (0.46) PLGCALCRLITGB1ITGA4
SCHEMBL4879319 0.68 F7 (0.43) PLGITGB1ITGA4CA2
SCHEMBL3457849 0.67 EGFR (0.54) TDP1HDAC1HDAC2EGFR
SCHEMBL4888152 0.66 MME (0.49) —
SCHEMBL20008181 0.63 ADORA2A (0.58) TDP1EGFR

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-20080171783-A1 COMPOSITIONS AND METHODS FOR TREATING HYPERPROLIFERATIVE DISEASE MIGENIX INC. (CA) 2008-07-17 — — US disclosed
US-20070021434-A1 NON-NUCLEOSIDE ANTI-HEPACIVIRUS AGENTS AND USES THEREOF MIGENIX INC. (CA) 2007-01-25 — — 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 (2 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-20070021434-A1 NON-NUCLEOSIDE ANTI-HEPACIVIRUS AGENTS AND USES THEREOF HAVCR2, ADAR, NSUN2 TDP1 2950/4885HDAC4 868/4885MEF2D 4493/4885
US-20080171783-A1 COMPOSITIONS AND METHODS FOR TREATING HYPERPROLIFERATIVE DISEASE POLQ, POLI, POLH TDP1 82/4885HDAC4 1732/4885MEF2D 3938/4885

“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.

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