SCHEMBL16853371

SCHEMBL16853371

NCCC(=O)c1ccc(C(=O)CCN)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.52
RAB9A P51151 4/20 0.52
TDP1 Q9NUW8 4/20 0.52
NPC1 O15118 3/20 0.52
LMNA P02545 3/20 0.52
MAPT P10636 3/20 0.52
NR4A2 P43354 1/20 0.52
SMN1; SMN2 Q16637 3/20 0.50
ALDH1A1 P00352 3/20 0.50
GAA P10253 2/20 0.50
KDM4E B2RXH2 2/20 0.50
CASP3 P42574 2/20 0.50
POLB P06746 2/20 0.50
ABL1 P00519 1/20 0.50
ALPI P09923 1/20 0.50
ALPG P10696 1/20 0.50
APEX1 P27695 1/20 0.50
RECQL P46063 1/20 0.50
BLM P54132 1/20 0.50
CASP7 P55210 1/20 0.50

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
SCHEMBL10789243 0.91 TSHR (0.55) L3MBTL1RAB9ATDP1NPC1LMNA
SCHEMBL8994647 0.91 NPC1 (0.68) L3MBTL1RAB9ATDP1NPC1LMNA
SCHEMBL31408185 0.91 L3MBTL1 (0.45) L3MBTL1RAB9ATDP1NPC1LMNA
SCHEMBL1808054 0.90 TDP1 (0.67) L3MBTL1RAB9ATDP1NPC1LMNA
Hydrochloric Acid SCHEMBL1719783 0.89 L3MBTL1 (0.43) L3MBTL1RAB9ATDP1NPC1LMNA
SCHEMBL10790353 0.89 GSK3B (0.59) L3MBTL1RAB9ANPC1LMNAMAPT
SCHEMBL20799581 0.89 GSK3B (0.59) RAB9ANPC1LMNAMAPTALDH1A1
SCHEMBL13770482 0.89 NPC1 (0.69) RAB9ANPC1MAPTSMN1; SMN2KDM4E
SCHEMBL2325573 0.89 KMT2A (0.64) RAB9ANPC1LMNAMAPTSMN1; SMN2
Hydrochloric Acid SCHEMBL2890303 0.87 TDP1 (0.64) L3MBTL1RAB9ATDP1NPC1LMNA

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 L3MBTL1 830/4885RAB9A 897/4885TDP1 2597/4885

“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.