SCHEMBL3590346

SCHEMBL3590346

O=C(CN1CCCCC1)NC(Cc1ccccc1)C(=O)OCN1C(=O)CCC(N2C(=O)c3ccccc3C2=O)C1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSMB8 P28062 2/20 0.42
PSMB5 P28074 2/20 0.42
PSMB10 P40306 2/20 0.42
PSMB2 P49721 2/20 0.42
PSMB9 P28065 1/20 0.42
ALDH1A1 P00352 2/20 0.42
POLB P06746 1/20 0.40
KMT2A Q03164 3/20 0.39
MEN1 O00255 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
ATM Q13315 1/20 0.38
CAPN1 P07384 1/20 0.38
LMNA P02545 1/20 0.38
ITGB1 P05556 1/20 0.37
ITGA4 P13612 1/20 0.37
NPC1 O15118 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
GAA P10253 1/20 0.37
MAP1LC3B Q9GZQ8 1/20 0.37
TP53 P04637 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
SCHEMBL13167690 1.00 PSMB8 (0.42) PSMB8PSMB5PSMB10PSMB2PSMB9
SCHEMBL3601473 0.89 TP53 (0.38) ALDH1A1POLBCAPN1ITGB1ITGA4
SCHEMBL13167689 0.86 GAA (0.39) ALDH1A1POLBL3MBTL1CAPN1ITGB1
SCHEMBL3594344 0.86 NPC1 (0.42) ALDH1A1KMT2AMEN1L3MBTL1NPC1
SCHEMBL3594340 0.86 NPC1 (0.42) ALDH1A1KMT2AMEN1L3MBTL1NPC1
SCHEMBL13167688 0.85 TP53 (0.39) ALDH1A1POLBKMT2AMEN1L3MBTL1
SCHEMBL13167677 0.84 NPC1 (0.41) ALDH1A1KMT2AMEN1L3MBTL1NPC1
Hydrochloric Acid SCHEMBL2913793 0.84 NPC1 (0.40) ALDH1A1KMT2AMEN1L3MBTL1NPC1
SCHEMBL3595909 0.84 KMT2A (0.42) ALDH1A1KMT2AMEN1L3MBTL1TDP1
Hydrochloric Acid SCHEMBL3584967 0.83 KMT2A (0.41) ALDH1A1KMT2AMEN1L3MBTL1TDP1

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-20100240651-A1 WATER-SOLUBLE THALIDOMIDE DERIVATIVES ZHANG HESHENG 2010-09-23 US claimed
US-20100240651-A1 WATER-SOLUBLE THALIDOMIDE DERIVATIVES ZHANG HESHENG 2010-09-23 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-20100240651-A1 WATER-SOLUBLE THALIDOMIDE DERIVATIVES CCNH, CBR1, CBR3 PSMB8 954/4885PSMB5 1526/4885PSMB10 1904/4885

“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.