SCHEMBL17010229

SCHEMBL17010229

CCOc1cc(O)c(C=O)cc1Cl

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 5/20 0.51
ALDH1A1 P00352 5/20 0.49
LMNA P02545 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.43
DPP4 P27487 1/20 0.42
KDM4E B2RXH2 2/20 0.42
CYP1A2 P05177 2/20 0.42
CYP2C19 P33261 2/20 0.42
RORC P51449 1/20 0.41
HPGD P15428 2/20 0.39
TSHR P16473 1/20 0.39
HTT P42858 1/20 0.39
MEN1 O00255 1/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL19025124 0.87 DPP4 (0.44) ERN1ALDH1A1DPP4
SCHEMBL3578196 0.86 LMNA (0.62) ERN1ALDH1A1LMNAKDM4ETSHR
SCHEMBL15085002 0.86 DPP4 (0.46) ERN1ALDH1A1L3MBTL1DPP4SMN1; SMN2
SCHEMBL6699503 0.84 ALDH1A1 (0.57) ERN1ALDH1A1LMNAL3MBTL1KDM4E
SCHEMBL29771746 0.84 LMNA (0.51) ERN1ALDH1A1LMNAL3MBTL1KDM4E
SCHEMBL29246798 0.84 LMNA (0.51) ERN1ALDH1A1LMNAL3MBTL1KDM4E
SCHEMBL1391291 0.84 ERN1 (0.41) ERN1ALDH1A1LMNADPP4
SCHEMBL22146466 0.81 KDM4E (0.41) ERN1ALDH1A1LMNAL3MBTL1DPP4
SCHEMBL19025114 0.81 ALDH1A1 (0.50) ERN1ALDH1A1LMNAKDM4EHTT
SCHEMBL4971064 0.81 ALDH1A1 (0.50) ERN1ALDH1A1LMNAKDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11266648-B2 Substituted chromeno[2,3-d]pyrimidines as NF-κB inhibitors ImmuneTarget, Inc. (US) 2022-03-08 US disclosed
US-11083729-B2 Methods of treating cancer with small molecule NF-κB inhibitors ImmuneTarget, Inc. (US) 2021-08-10 US disclosed
US-20200345739-A1 SMALL MOLECULE NF-kB INHIBITORS ImmuneTarget, Inc. 2020-11-05 US disclosed
CN-111417396-A Methods of treating cancer with small molecule NF-kB inhibitors 免疫目标公司 2020-07-14 CN disclosed
US-10660894-B2 Small molecule NF-κB inhibitors ImmuneTarget, Inc. (US) 2020-05-26 US disclosed
EP-3645007-A1 METHODS OF TREATING CANCER WITH SMALL MOLECULE NF-KB INHIBITORS Immunetarget, Inc. (US) 2020-05-06 EP disclosed
US-20190142836-A1 SMALL MOLECULE NF-kB INHIBITORS ImmuneTarget, Inc. 2019-05-16 US disclosed
US-10226464-B2 Small molecule NF-κB inhibitors ImmuneTarget, Inc. (US) 2019-03-12 US disclosed
US-20190040087-A1 MICROBIOCIDALLY ACTIVE BENZOXABOROLES SYNGENTA PARTICIPATIONS AG (CH) 2019-02-07 US disclosed
US-20190040087-A1 MICROBIOCIDALLY ACTIVE BENZOXABOROLES SYNGENTA PARTICIPATIONS AG (CH) 2019-02-07 US disclosed
US-10040806-B2 Microbiocidally active benzoxaboroles SYNGENTA PARTICIPATIONS AG (CH) 2018-08-07 US disclosed
US-10040806-B2 Microbiocidally active benzoxaboroles SYNGENTA PARTICIPATIONS AG (CH) 2018-08-07 US disclosed
WO-2017117355-A1 2H-CHROMENO[2,3-D]PYRIMIDINE-2,4(3H)-DIONES AS NF-KB INHIBITORS ImmuneTarget, Inc. (US) 2017-07-06 WO disclosed
US-20170182051-A1 SMALL MOLECULE NF-kB INHIBITORS IMMUNETARGET INC (US) 2017-06-29 US disclosed
EP-3107921-A1 MICROBIOCIDALLY ACTIVE BENZOXABOROLES Syngenta Participations AG (CH) 2016-12-28 EP disclosed
US-20160347773-A1 MICROBIOCIDALLY ACTIVE BENZOXABOROLES SYNGENTA PARTICIPATIONS AG (CH) 2016-12-01 US disclosed
US-20160347773-A1 MICROBIOCIDALLY ACTIVE BENZOXABOROLES SYNGENTA PARTICIPATIONS AG (CH) 2016-12-01 US disclosed
US-20160347773-A1 MICROBIOCIDALLY ACTIVE BENZOXABOROLES SYNGENTA PARTICIPATIONS AG (CH) 2016-12-01 US disclosed
WO-2015121442-A1 MICROBIOCIDALLY ACTIVE BENZOXABOROLES SYNGENTA PARTICIPATIONS AG (CH) 2015-08-20 WO disclosed
WO-2015121442-A1 MICROBIOCIDALLY ACTIVE BENZOXABOROLES SYNGENTA PARTICIPATIONS AG (CH) 2015-08-20 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 (10 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-20190142836-A1 SMALL MOLECULE NF-kB INHIBITORS NFKBIA, NFKB2, IKBKB ERN1 827/4885ALDH1A1 4249/4885LMNA 762/4885
US-11083729-B2 Methods of treating cancer with small molecule NF-κB inhibitors NFKBIA, IKBKB, RELA ERN1 850/4885ALDH1A1 2307/4885LMNA 404/4885
US-10660894-B2 Small molecule NF-κB inhibitors NFKBIA, RELA, NFKB2 ERN1 778/4885ALDH1A1 3359/4885LMNA 1186/4885
US-20190040087-A1 MICROBIOCIDALLY ACTIVE BENZOXABOROLES MPO, BROX, MANBA ERN1 3441/4885ALDH1A1 1549/4885LMNA 2186/4885
US-10226464-B2 Small molecule NF-κB inhibitors NFKBIA, RELA, NFKB2 ERN1 778/4885ALDH1A1 3359/4885LMNA 1186/4885
US-20170182051-A1 SMALL MOLECULE NF-kB INHIBITORS NFKBIA, NFKB2, IKBKB ERN1 827/4885ALDH1A1 4249/4885LMNA 762/4885
US-20160347773-A1 MICROBIOCIDALLY ACTIVE BENZOXABOROLES MPO, BROX, MANBA ERN1 3441/4885ALDH1A1 1549/4885LMNA 2186/4885
US-20200345739-A1 SMALL MOLECULE NF-kB INHIBITORS NFKBIA, NFKB2, IKBKB ERN1 827/4885ALDH1A1 4249/4885LMNA 762/4885
US-11266648-B2 Substituted chromeno[2,3-d]pyrimidines as NF-κB inhibitors NFKBIA, IKBKB, RELA ERN1 1323/4885ALDH1A1 1886/4885LMNA 1033/4885
US-10040806-B2 Microbiocidally active benzoxaboroles MPO, BROX, MANBA ERN1 3441/4885ALDH1A1 1549/4885LMNA 2186/4885

“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.