SCHEMBL14686809

SCHEMBL14686809

CCOC(=O)c1ccc(N2CCCNC2=O)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 5/20 0.52
ALDH1A1 P00352 5/20 0.52
HPGD P15428 4/20 0.52
NPSR1 Q6W5P4 2/20 0.52
HSP90AA1 P07900 1/20 0.52
CACNA1B Q00975 1/20 0.52
APBA1 Q02410 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
HSD17B10 Q99714 2/20 0.51
PKM P14618 1/20 0.51
LMNA P02545 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
MAOA P21397 1/20 0.49
MAPK1 P28482 1/20 0.48
IDO1 P14902 1/20 0.48
TSHR P16473 1/20 0.47
KDM4E B2RXH2 1/20 0.47
MEN1 O00255 1/20 0.47
USP2 O75604 1/20 0.47

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
SCHEMBL25275540 0.92 HTT (0.55) HTTALDH1A1HPGDNPSR1HSP90AA1
SCHEMBL4744986 0.85 ALDH1A1 (0.48) HTTALDH1A1HPGDTDP1LMNA
SCHEMBL4196712 0.81 PKM (0.67) HTTALDH1A1HPGDNPSR1HSP90AA1
SCHEMBL14686859 0.80 PKM (0.63) HTTALDH1A1HPGDNPSR1HSP90AA1
SCHEMBL8915003 0.78 HTT (0.52) HTTALDH1A1HPGDNPSR1HSP90AA1
SCHEMBL25236156 0.78 PKM (0.62) HTTALDH1A1HPGDNPSR1HSP90AA1
SCHEMBL4692282 0.78 ALDH1A1 (0.63) ALDH1A1HPGDTDP1CYP1A2CYP3A4
SCHEMBL25235536 0.77 HTT (0.51) HTTALDH1A1HPGDNPSR1HSP90AA1
SCHEMBL25240100 0.77 ALDH1A1 (0.51) HTTALDH1A1HPGDNPSR1HSP90AA1
SCHEMBL7431121 0.77 HTT (0.57) HTTALDH1A1HPGDNPSR1HSP90AA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11905306-B2 Substituted phenyl ethynyl pyridine carboxamides as potent inhibitors of SARS virus SOUTHERN RESEARCH INSTITUTE (US) 2024-02-20 US disclosed
WO-2023122212-A2 SUBSTITUTED PHENYL ETHYNYL PYRIDINE CARBOXAMIDES AS POTENT INHIBITORS OF SARS VIRUS SOUTHERN RESEARCH INSTITUTE (US) 2023-06-29 WO disclosed
US-20230192733-A1 SUBSTITUTED PHENYL ET458HYNYL PYRIDINE CARBOXAMIDES AS POTENT INHIBITORS OF SARS VIRUS SOUTHERN RESEARCH INSTITUTE 2023-06-22 US disclosed
US-8816079-B2 Amide derivative and use thereof as medicine MITSUBISHI TANABE PHARMA CORPORATION (JP) 2014-08-26 US disclosed
US-8816079-B2 Amide derivative and use thereof as medicine MITSUBISHI TANABE PHARMA CORPORATION (JP) 2014-08-26 US disclosed
US-8816079-B2 Amide derivative and use thereof as medicine MITSUBISHI TANABE PHARMA CORPORATION (JP) 2014-08-26 US disclosed
CN-102971291-A Novel amide derivative and use thereof as medicine MITSUBISHI TANABE PHARMA CORP 2013-03-13 CN disclosed
EP-2565182-A1 NOVEL AMIDE DERIVATIVE AND USE THEREOF AS MEDICINE Mitsubishi Tanabe Pharma Corporation (JP) 2013-03-06 EP disclosed
EP-2565182-A1 NOVEL AMIDE DERIVATIVE AND USE THEREOF AS MEDICINE Mitsubishi Tanabe Pharma Corporation (JP) 2013-03-06 EP disclosed
US-20130040930-A1 NOVEL AMIDE DERIVATIVE AND USE THEREOF AS MEDICINE MITSUBISHI TANABE PHARMA CORPORATION (JP) 2013-02-14 US disclosed
US-20130040930-A1 NOVEL AMIDE DERIVATIVE AND USE THEREOF AS MEDICINE MITSUBISHI TANABE PHARMA CORPORATION (JP) 2013-02-14 US disclosed
US-20130040930-A1 NOVEL AMIDE DERIVATIVE AND USE THEREOF AS MEDICINE MITSUBISHI TANABE PHARMA CORPORATION (JP) 2013-02-14 US 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 (3 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-20130040930-A1 NOVEL AMIDE DERIVATIVE AND USE THEREOF AS MEDICINE MMP9, MMP10, MMP2 HTT 2316/4885ALDH1A1 594/4885HPGD 175/4885
US-20230192733-A1 SUBSTITUTED PHENYL ET458HYNYL PYRIDINE CARBOXAMIDES AS POTENT INHIBITORS OF SARS VIRUS SARS1, ACE2, ACE HTT 2286/4885ALDH1A1 4373/4885HPGD 3870/4885
US-11905306-B2 Substituted phenyl ethynyl pyridine carboxamides as potent inhibitors of SARS virus SARS1, ACE2, TMPRSS2 HTT 3067/4885ALDH1A1 4308/4885HPGD 3682/4885

“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.