SCHEMBL18286262

SCHEMBL18286262

O=C(COC(=O)Cc1ccc(F)cc1)Nc1ccc(Cl)cn1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 1.00
ALDH1A1 P00352 5/20 0.76
MAPT P10636 2/20 0.69
KLK7 P49862 2/20 0.68
MEN1 O00255 1/20 0.57
F2 P00734 1/20 0.57
KMT2A Q03164 1/20 0.57
RAB9A P51151 3/20 0.57
SMN1; SMN2 Q16637 2/20 0.56
NPC1 O15118 2/20 0.56
TSHR P16473 1/20 0.56
TDP1 Q9NUW8 2/20 0.55
KDM4E B2RXH2 1/20 0.55
NR4A1 P22736 1/20 0.55
HSD17B10 Q99714 1/20 0.55
LMNA P02545 1/20 0.55
TP53 P04637 1/20 0.55
NFKB1 P19838 1/20 0.55
NFKB2 Q00653 1/20 0.55
RELA Q04206 1/20 0.55

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
SCHEMBL18286187 0.89 L3MBTL1 (0.81) L3MBTL1ALDH1A1MAPTKLK7MEN1
SCHEMBL18292466 0.88 L3MBTL1 (0.78) L3MBTL1ALDH1A1MAPTMEN1F2
SCHEMBL18292443 0.86 L3MBTL1 (0.76) L3MBTL1ALDH1A1MAPTMEN1F2
SCHEMBL934440 0.86 RAB9A (0.75) L3MBTL1ALDH1A1MEN1KMT2ARAB9A
SCHEMBL18292444 0.84 ALDH1A1 (0.73) L3MBTL1ALDH1A1MAPTKLK7MEN1
SCHEMBL18292431 0.83 L3MBTL1 (0.71) L3MBTL1ALDH1A1MAPTMEN1F2
SCHEMBL18292218 0.81 ALDH1A1 (1.00) L3MBTL1ALDH1A1MAPTMEN1F2
SCHEMBL18354643 0.81 KLK7 (1.00) L3MBTL1ALDH1A1MAPTKLK7
SCHEMBL18286227 0.81 L3MBTL1 (0.67) L3MBTL1ALDH1A1MAPTMEN1KMT2A
SCHEMBL20276640 0.78 ALDH1A1 (0.74) L3MBTL1ALDH1A1MAPTMEN1F2

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10758522-B2 Small molecule analogs of the nemo binding peptide THE SCRIPPS RESEARCH INSTITUTE (US) 2020-09-01 US disclosed
US-10758522-B2 Small molecule analogs of the nemo binding peptide THE SCRIPPS RESEARCH INSTITUTE (US) 2020-09-01 US disclosed
US-20180169078-A1 Small Molecule Analogs of the Nemo Binding Peptide UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED 2018-06-21 US disclosed
US-20180169078-A1 Small Molecule Analogs of the Nemo Binding Peptide UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED 2018-06-21 US disclosed
US-20180169078-A1 Small Molecule Analogs of the Nemo Binding Peptide UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED 2018-06-21 US disclosed
EP-3302468-A1 SMALL MOLECULE ANALOGS OF THE NEMO BINDING PEPTIDE The Scripps Research Institute (US) 2018-04-11 EP disclosed
WO-2016196117-A1 SMALL MOLECULE ANALOGS OF THE NEMO BINDING PEPTIDE THE SCRIPPS RESEARCH INSTITUTE (US) 2016-12-08 WO disclosed
WO-2016196117-A1 SMALL MOLECULE ANALOGS OF THE NEMO BINDING PEPTIDE THE SCRIPPS RESEARCH INSTITUTE (US) 2016-12-08 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 (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-10758522-B2 Small molecule analogs of the nemo binding peptide IKBKG, NFKBIA, NFKB1 L3MBTL1 1248/4885ALDH1A1 4340/4885MAPT 932/4885
US-20180169078-A1 Small Molecule Analogs of the Nemo Binding Peptide IKBKG, NFKBIA, NFKB1 L3MBTL1 1248/4885ALDH1A1 4340/4885MAPT 932/4885

“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.