SCHEMBL17525430

SCHEMBL17525430

NCCOCCOCCNc1ccc2c3c(cccc13)C(=O)N(CCOCCOCCN1C(=O)c3cccc4c(NCCOCCOCCNc5ccc6c7c(cccc57)C(=O)N(CCOCCOCCN)C6=O)ccc(c34)C1=O)C2=O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.57
▸ USP2 O75604 3/20 0.57
▸ KMT2A Q03164 3/20 0.57
▸ TLR9 Q9NR96 2/20 0.57
▸ ATM Q13315 2/20 0.57
▸ RGS12 O14924 1/20 0.57
▸ POLB P06746 1/20 0.57
▸ MAPT P10636 1/20 0.57
▸ MAPK1 P28482 1/20 0.57
▸ HTT P42858 1/20 0.57
▸ NPSR1 Q6W5P4 1/20 0.57
▸ TDP1 Q9NUW8 1/20 0.57
▸ L3MBTL1 Q9Y468 1/20 0.57
▸ DYRK3 O43781 1/20 0.50
▸ RPS6KB1 P23443 1/20 0.50
▸ EPHA2 P29317 1/20 0.50
▸ FLT4 P35916 1/20 0.50
▸ CSNK2A1 P68400 1/20 0.50
▸ HDAC1 Q13547 5/20 0.49
▸ HDAC6 Q9UBN7 5/20 0.49

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
SCHEMBL29387419 1.00 MEN1 (0.57) MEN1USP2KMT2ATLR9ATM
SCHEMBL22164719 1.00 MEN1 (0.57) MEN1USP2KMT2ATLR9ATM
SCHEMBL15559791 1.00 MEN1 (0.57) MEN1USP2KMT2ATLR9ATM
SCHEMBL29389679 1.00 MEN1 (0.57) MEN1USP2KMT2ATLR9ATM
SCHEMBL17525431 1.00 MEN1 (0.57) MEN1USP2KMT2ATLR9ATM
SCHEMBL28765285 1.00 MEN1 (0.57) MEN1USP2KMT2ATLR9ATM
SCHEMBL22181166 0.96 MEN1 (0.58) MEN1USP2KMT2ATLR9ATM
SCHEMBL17522967 0.95 MEN1 (0.60) MEN1USP2KMT2ATLR9ATM
Acetic Acid SCHEMBL29387147 0.94 MEN1 (0.53) MEN1USP2KMT2ATLR9ATM
SCHEMBL26930630 0.89 MEN1 (0.47) MEN1USP2KMT2ATLR9ATM

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-20220062267-A1 METHODS OF ACUTE RESTORATION OF VASCULAR COMPLIANCE ALUMEND, LLC (US) 2022-03-03 — — US disclosed
US-20160046584-A1 COMPOSITIONS AND METHODS OF USING THE COMPOSITIONS FOR PLAQUE SOFTENING ALUMEND, LLC (US) 2016-02-18 — — 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-20220062267-A1 METHODS OF ACUTE RESTORATION OF VASCULAR COMPLIANCE APOB, LIPG, VCAM1 MEN1 3238/4885USP2 1594/4885KMT2A 2624/4885
US-20160046584-A1 COMPOSITIONS AND METHODS OF USING THE COMPOSITIONS FOR PLAQUE SOFTENING APOB, PLG, LIPG MEN1 2681/4885USP2 2842/4885KMT2A 3857/4885

“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.

Send feedback