SCHEMBL3594344

SCHEMBL3594344

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

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.42
KMT2A Q03164 7/20 0.39
MEN1 O00255 3/20 0.39
ALDH1A1 P00352 4/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
TDP1 Q9NUW8 2/20 0.37
DDB1 Q16531 2/20 0.36
CRBN Q96SW2 2/20 0.36
MAPT P10636 1/20 0.35

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
SCHEMBL3594340 1.00 NPC1 (0.42) NPC1KMT2AMEN1ALDH1A1L3MBTL1
SCHEMBL13167677 0.91 NPC1 (0.41) NPC1KMT2AMEN1ALDH1A1L3MBTL1
Hydrochloric Acid SCHEMBL2913793 0.90 NPC1 (0.40) NPC1KMT2AMEN1ALDH1A1L3MBTL1
SCHEMBL3594804 0.88 CYP3A4 (0.36) KMT2AMEN1ALDH1A1L3MBTL1TDP1
SCHEMBL3594808 0.88 CYP3A4 (0.36) KMT2AMEN1ALDH1A1L3MBTL1TDP1
SCHEMBL3588455 0.86 L3MBTL1 (0.36) KMT2AMEN1ALDH1A1L3MBTL1TDP1
SCHEMBL3588459 0.86 L3MBTL1 (0.36) KMT2AMEN1ALDH1A1L3MBTL1TDP1
SCHEMBL13167690 0.86 PSMB8 (0.42) NPC1KMT2AMEN1ALDH1A1L3MBTL1
SCHEMBL3590346 0.86 PSMB8 (0.42) NPC1KMT2AMEN1ALDH1A1L3MBTL1
SCHEMBL3584232 0.85 CYP3A4 (0.36) KMT2AMEN1ALDH1A1L3MBTL1TDP1

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 NPC1 3877/4885KMT2A 1947/4885MEN1 1687/4885

“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.