Sugi Predict

Sugi Predict / Compounds / SCHEMBL958643

SCHEMBL958643

SCHEMBL958643

CCOC(=O)C(Cc1cccc([N+](=O)[O-])c1)C(C)=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GLO1 Q04760 1/20 0.49
▸ MAOB P27338 2/20 0.48
▸ MAOA P21397 1/20 0.48
▸ GAA P10253 1/20 0.46
▸ MAPT P10636 4/20 0.46
▸ MAPK1 P28482 2/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ MEN1 O00255 5/20 0.46
▸ KMT2A Q03164 5/20 0.46
▸ PKM P14618 2/20 0.46
▸ LMNA P02545 2/20 0.46
▸ CYP2C9 P11712 3/20 0.46
▸ CYP2C19 P33261 3/20 0.46
▸ CYP2D6 P10635 2/20 0.46
▸ TSHR P16473 2/20 0.46
▸ RECQL P46063 1/20 0.46
▸ CACNA1F O60840 1/20 0.46
▸ ADORA3 P0DMS8 1/20 0.46
▸ CACNA1D Q01668 1/20 0.46
▸ CACNA1S Q13698 1/20 0.46

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
SCHEMBL30811231 1.00 GLO1 (0.49) GLO1MAOBMAOAGAAMAPT
SCHEMBL1205553 0.93 GLO1 (0.49) GLO1MAOBMAOAMAPTMAPK1
SCHEMBL31148898 0.90 MAOB (0.50) MAOBMAOAMAPTMAPK1SMN1; SMN2
SCHEMBL6313603 0.90 MAOB (0.50) MAOBMAOAMAPTMAPK1SMN1; SMN2
SCHEMBL6690963 0.88 TSHR (0.58) MAOBMAOAMAPTMAPK1SMN1; SMN2
SCHEMBL28993586 0.88 CYP2C9 (0.49) MAOBMAOAMAPTSMN1; SMN2MEN1
SCHEMBL7709511 0.86 GLO1 (0.50) GLO1MAOBMAOAGAAMAPT
SCHEMBL3815135 0.86 GLO1 (0.50) GLO1MAOBMAOAGAAMAPT
SCHEMBL15000033 0.85 CYP2C9 (0.46) GLO1MAOBMAOAGAAMAPT
SCHEMBL29179989 0.85 TSHR (0.51) MAOBMAOASMN1; SMN2LMNACYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114149360-B Preparation method of high-purity nitrendipine bulk drug 天津太平洋化学制药有限公司 2024-03-01 — — CN claimed
CN-117624024-A Preparation method of high-purity nitrendipine 乐声药业石家庄有限公司 2024-03-01 — — CN claimed
CN-114149360-B Preparation method of high-purity nitrendipine bulk drug 天津太平洋化学制药有限公司 2024-03-01 — — CN disclosed
CN-114149360-B Preparation method of high-purity nitrendipine bulk drug 天津太平洋化学制药有限公司 2024-03-01 — — CN disclosed
CN-117624024-A Preparation method of high-purity nitrendipine 乐声药业石家庄有限公司 2024-03-01 — — CN disclosed
CN-117624024-A Preparation method of high-purity nitrendipine 乐声药业石家庄有限公司 2024-03-01 — — CN disclosed
CN-116003311-A Method for synthesizing nitrendipine by utilizing ionic liquid catalysis 山东新华制药股份有限公司 2023-04-25 — — CN disclosed
US-20230036933-A1 HETEROCYCLIC INHIBITORS OF ENPP1 VOLASTRA THERAPEUTICS, INC. (US) 2023-02-02 — — US disclosed
WO-2021257614-A1 HETEROCYCLIC INHIBITORS OF ENPP1 VOLASTRA THERAPEUTICS, INC. (US) 2021-12-23 — — WO disclosed
US-9611258-B2 Dual MEK/PI3K inhibitors and therapeutic methods using the same THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2017-04-04 — — US disclosed
US-9611258-B2 Dual MEK/PI3K inhibitors and therapeutic methods using the same THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2017-04-04 — — US disclosed
US-20100004233-A1 NOVEL COUMARIN DERIVATIVE HAVING ANTITUMOR ACTIVITY CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2010-01-07 — — US disclosed
US-20100004233-A1 NOVEL COUMARIN DERIVATIVE HAVING ANTITUMOR ACTIVITY CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2010-01-07 — — US disclosed
US-20100004233-A1 NOVEL COUMARIN DERIVATIVE HAVING ANTITUMOR ACTIVITY CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2010-01-07 — — US disclosed
EP-1982982-A1 NOVEL COUMARIN DERIVATIVE HAVING ANTITUMOR ACTIVITY CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2008-10-22 — — EP disclosed
EP-1982982-A1 NOVEL COUMARIN DERIVATIVE HAVING ANTITUMOR ACTIVITY CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2008-10-22 — — EP disclosed
US-7026491-B2 Coumarin derivatives useful as TNFα inhibitors CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2006-04-11 — — US disclosed
US-20060020138-A1 Coumarin derivatives useful as TNFalpha inhibitors CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2006-01-26 — — US disclosed
US-20050014705-A1 Coumarin derivatives useful as tnf alpha inhibitors CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2005-01-20 — — US disclosed
WO-2002008217-A2 COUMARIN DERIVATIVES USEFUL AS TNFα INHIBITORS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2002-01-31 — — 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 (4 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-20230036933-A1 HETEROCYCLIC INHIBITORS OF ENPP1 ENPP1, ENPP3, ENPP2 GLO1 2458/4885MAOB 1121/4885MAOA 1192/4885
US-20050014705-A1 Coumarin derivatives useful as tnf alpha inhibitors TNF, NFKBIA, TNFRSF1A GLO1 3598/4885MAOB 4077/4885MAOA 3988/4885
US-20100004233-A1 NOVEL COUMARIN DERIVATIVE HAVING ANTITUMOR ACTIVITY H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, SULT1A1, SULT1E1 GLO1 3633/4885MAOB 3526/4885MAOA 3570/4885
US-20060020138-A1 Coumarin derivatives useful as TNFalpha inhibitors TNF, NFKBIA, TNFRSF1A GLO1 3371/4885MAOB 3977/4885MAOA 3919/4885

“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.