SCHEMBL2947641

SCHEMBL2947641

CC(=O)OCC(=O)Nc1ccc(Cl)cn1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.74
TDP1 Q9NUW8 3/20 0.68
MAPT P10636 2/20 0.68
RAB9A P51151 4/20 0.68
NPC1 O15118 3/20 0.68
TSHR P16473 2/20 0.68
L3MBTL1 Q9Y468 3/20 0.64
LMNA P02545 2/20 0.62
PTK2 Q05397 1/20 0.62
TP53 P04637 2/20 0.61
SMN1; SMN2 Q16637 2/20 0.61
NFKB1 P19838 1/20 0.61
NFKB2 Q00653 1/20 0.61
RELA Q04206 1/20 0.61
PKM P14618 1/20 0.61
HPGD P15428 1/20 0.61
MAPK1 P28482 1/20 0.61
KDM4E B2RXH2 1/20 0.61
NR4A1 P22736 1/20 0.61
HSD17B10 Q99714 1/20 0.61

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
SCHEMBL30839242 1.00 ALDH1A1 (0.74) ALDH1A1TDP1MAPTRAB9ANPC1
Hydrochloric Acid SCHEMBL31072915 0.99 ALDH1A1 (0.72) ALDH1A1TDP1MAPTRAB9ANPC1
SCHEMBL6613815 0.82 RAB9A (0.59) ALDH1A1MAPTRAB9ANPC1TSHR
SCHEMBL22580172 0.82 ALDH1A1 (0.52) ALDH1A1TDP1MAPTRAB9ANPC1
SCHEMBL30753604 0.82 ALDH1A1 (0.52) ALDH1A1TDP1MAPTRAB9ANPC1
SCHEMBL23933096 0.81 TDP1 (1.00) ALDH1A1TDP1MAPTRAB9ANPC1
SCHEMBL19090370 0.80 TDP1 (0.73) ALDH1A1TDP1MAPTRAB9ANPC1
SCHEMBL324560 0.79 GAA (0.54) ALDH1A1MAPTRAB9ANPC1L3MBTL1
SCHEMBL18292466 0.79 L3MBTL1 (0.78) ALDH1A1MAPTRAB9ANPC1TSHR
SCHEMBL18292431 0.79 L3MBTL1 (0.71) ALDH1A1TDP1MAPTRAB9ANPC1

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024185438-A1 AZIDE COMPOUND, AMINE COMPOUND, AND METHOD FOR PRODUCING EDOXABAN 株式会社カネカ 2024-09-12 WO disclosed
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
WO-2016196117-A1 SMALL MOLECULE ANALOGS OF THE NEMO BINDING PEPTIDE THE SCRIPPS RESEARCH INSTITUTE (US) 2016-12-08 WO disclosed
US-7737161-B2 Condensed furan compounds MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-06-15 US disclosed
EP-1489078-B1 BENZOFURAN DERIVATIVE MITSUBISHI TANABE PHARMA CORP (JP) 2010-01-06 EP disclosed
US-7605158-B2 Carbamoyl-type benzofuran derivatives MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-10-20 US disclosed
US-7605158-B2 Carbamoyl-type benzofuran derivatives MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-10-20 US disclosed
US-7531537-B2 Benzofuran derivative MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-05-12 US disclosed
US-7514449-B2 Fused furan compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-04-07 US disclosed
CN-100344632-C Fused furan compound TANABE SEIYAKU CO (JP) 2007-10-24 CN disclosed
US-20060247273-A1 Carbamoyl-type benzofuran derivatives MITSUBISHI TANABE PHARMA CORPORATION (JP) 2006-11-02 US disclosed
EP-1666478-A1 CARBAMOYL-TYPE BENZOFURAN DERIVATIVES TANABE SEIYAKU CO., LTD. (JP) 2006-06-07 EP disclosed
US-20060094724-A1 Fused furan compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2006-05-04 US disclosed
CN-1723210-A Fused furan compound TANABE SEIYAKU CO (JP) 2006-01-18 CN disclosed
US-20050282808-A1 Benzofuran derivative MITSUBISHI TANABE PHARMA CORPORATION (JP) 2005-12-22 US disclosed
EP-1582521-A1 FUSED FURAN COMPOUND TANABE SEIYAKU CO., LTD. (JP) 2005-10-05 EP disclosed
EP-1489078-A1 BENZOFURAN DERIVATIVE Tanabe Seiyaku Co., Ltd. (JP) 2004-12-22 EP 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 (5 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-20050282808-A1 Benzofuran derivative F12, F2, F11 ALDH1A1 683/4885TDP1 3656/4885MAPT 4700/4885
US-10758522-B2 Small molecule analogs of the nemo binding peptide IKBKG, NFKBIA, NFKB1 ALDH1A1 4340/4885TDP1 745/4885MAPT 932/4885
US-20060247273-A1 Carbamoyl-type benzofuran derivatives F12, F2, F3 ALDH1A1 1153/4885TDP1 3481/4885MAPT 4544/4885
US-20060094724-A1 Fused furan compound F2, F12, F11 ALDH1A1 1674/4885TDP1 4423/4885MAPT 4835/4885
US-20180169078-A1 Small Molecule Analogs of the Nemo Binding Peptide IKBKG, NFKBIA, NFKB1 ALDH1A1 4340/4885TDP1 745/4885MAPT 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.