SCHEMBL18286136

SCHEMBL18286136

NCC(=O)Nc1ccc(Cl)cn1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.73
RAB9A P51151 7/20 0.68
NPC1 O15118 4/20 0.68
TSHR P16473 3/20 0.68
L3MBTL1 Q9Y468 3/20 0.66
PTK2 Q05397 1/20 0.62
MAPK1 P28482 2/20 0.61
GLA P06280 1/20 0.61
LMNA P02545 3/20 0.60
HTT P42858 1/20 0.60
NPSR1 Q6W5P4 1/20 0.60
SMN1; SMN2 Q16637 3/20 0.57
TP53 P04637 2/20 0.57
MAPT P10636 2/20 0.57
NFKB1 P19838 1/20 0.57
NFKB2 Q00653 1/20 0.57
RELA Q04206 1/20 0.57
PKM P14618 1/20 0.57
HPGD P15428 1/20 0.57
ALDH1A1 P00352 2/20 0.56

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
SCHEMBL23933096 0.85 TDP1 (1.00) TDP1RAB9ANPC1TSHRL3MBTL1
SCHEMBL2188598 0.84 TDP1 (0.71) TDP1RAB9ANPC1TSHRL3MBTL1
SCHEMBL29883158 0.84 TDP1 (0.71) TDP1RAB9ANPC1TSHRL3MBTL1
SCHEMBL2944497 0.84 TDP1 (0.71) TDP1RAB9ANPC1TSHRL3MBTL1
SCHEMBL222437 0.83 TDP1 (0.69) TDP1RAB9ANPC1TSHRL3MBTL1
SCHEMBL27886037 0.83 TDP1 (0.73) TDP1RAB9ANPC1TSHRL3MBTL1
SCHEMBL19090370 0.83 TDP1 (0.73) TDP1RAB9ANPC1TSHRL3MBTL1
Hydrochloric Acid SCHEMBL1503943 0.83 TDP1 (0.69) TDP1RAB9ANPC1TSHRL3MBTL1
SCHEMBL11034892 0.83 TDP1 (0.69) TDP1RAB9ANPC1TSHRL3MBTL1
SCHEMBL18768564 0.81 DEGS1 (0.62) TDP1

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 7 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
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 TDP1 745/4885RAB9A 3026/4885NPC1 2774/4885
US-20180169078-A1 Small Molecule Analogs of the Nemo Binding Peptide IKBKG, NFKBIA, NFKB1 TDP1 745/4885RAB9A 3026/4885NPC1 2774/4885

“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.