SCHEMBL16853369

SCHEMBL16853369

NCCC(=O)c1cnc(C(=O)CCN)nc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 5/20 0.48
WNT3A P56704 5/20 0.48
SMYD3 Q9H7B4 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.33
LMNA P02545 2/20 0.33
MAPT P10636 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
P2RX7 Q99572 1/20 0.33
NR4A2 P43354 1/20 0.33
HDAC1 Q13547 2/20 0.33
HDAC6 Q9UBN7 2/20 0.33
HDAC3 O15379 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC7 Q8WUI4 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC10 Q969S8 1/20 0.33
HDAC11 Q96DB2 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC9 Q9UKV0 1/20 0.33
HDAC5 Q9UQL6 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
SCHEMBL6322774 0.77 HCAR2 (0.48) CTNNB1WNT3ASMYD3L3MBTL1LMNA
SCHEMBL16853371 0.72 L3MBTL1 (0.52) L3MBTL1LMNAMAPTTDP1NR4A2
SCHEMBL31598839 0.72 CTNNB1 (0.34) CTNNB1WNT3ASMYD3LMNAP2RX7
SCHEMBL1808054 0.69 TDP1 (0.67) CTNNB1WNT3AL3MBTL1LMNAMAPT
SCHEMBL16404441 0.68 CYP1A2 (0.59) CTNNB1WNT3AL3MBTL1LMNAMAPT
SCHEMBL21133737 0.68 PLOD2 (0.62) CTNNB1WNT3ALMNAHDAC1HDAC6
Hydrochloric Acid SCHEMBL2890303 0.67 TDP1 (0.64) CTNNB1WNT3AL3MBTL1LMNAMAPT
SCHEMBL15969192 0.65 CTNNB1 (1.00) CTNNB1WNT3AL3MBTL1LMNAMAPT
SCHEMBL10789243 0.65 TSHR (0.55) L3MBTL1LMNAMAPTTDP1NR4A2
SCHEMBL21018768 0.65 PBRM1 (0.36) L3MBTL1LMNAMAPTTDP1NR4A2

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-20160317623-A1 MODIFIED THERAPEUTIC AGENTS, STAPLED PEPTIDE LIPID CONJUGATES, AND COMPOSITIONS THEREOF THE SCRIPPS RESEARCH INSTITUTE 2016-11-03 US disclosed
WO-2015095406-A1 MODIFIED THERAPEUTIC AGENTS, STAPLED PEPTIDE LIPID CONJUGATES, AND COMPOSITIONS THEREOF THE CALIFORNIA INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2015-06-25 WO 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-20160317623-A1 MODIFIED THERAPEUTIC AGENTS, STAPLED PEPTIDE LIPID CONJUGATES, AND COMPOSITIONS THEREOF SGMS1, SGMS2, PHOSPHO1 CTNNB1 3754/4885WNT3A 4052/4885SMYD3 1524/4885

“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.