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Sugi Predict / Compounds / SCHEMBL527627

SCHEMBL527627

SCHEMBL527627

CCOC(=O)c1ccc(Nc2ncccc2[N+](=O)[O-])cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 9/20 1.00
▸ NPC1 O15118 7/20 1.00
▸ MAPT P10636 7/20 1.00
▸ MAPK1 P28482 2/20 1.00
▸ NFKB1 P19838 1/20 1.00
▸ NFKB2 Q00653 1/20 1.00
▸ RELA Q04206 1/20 1.00
▸ SMN1; SMN2 Q16637 5/20 0.60
▸ ALDH1A1 P00352 5/20 0.60
▸ GAA P10253 2/20 0.60
▸ KDM4E B2RXH2 4/20 0.57
▸ RXFP1 Q9HBX9 1/20 0.52
▸ HPGD P15428 4/20 0.51
▸ CYP1A2 P05177 2/20 0.51
▸ CYP2C9 P11712 2/20 0.51
▸ CYP2C19 P33261 2/20 0.51
▸ KDR P35968 2/20 0.49
▸ BRAF P15056 1/20 0.49
▸ PPIA P62937 1/20 0.49
▸ KMT2A Q03164 3/20 0.49

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
SCHEMBL1407976 0.89 MAPT (0.80) RAB9ANPC1MAPTMAPK1NFKB1
SCHEMBL6797863 0.88 MAPT (0.78) RAB9ANPC1MAPTMAPK1NFKB1
SCHEMBL6797565 0.88 MAPT (0.78) RAB9ANPC1MAPTMAPK1NFKB1
SCHEMBL16176974 0.85 MAPT (0.74) RAB9ANPC1MAPTMAPK1NFKB1
SCHEMBL16177076 0.83 RAB9A (0.71) RAB9ANPC1MAPTMAPK1NFKB1
SCHEMBL6805283 0.83 MAPT (0.70) RAB9ANPC1MAPTMAPK1NFKB1
SCHEMBL1414434 0.82 MAPT (0.70) RAB9ANPC1MAPTMAPK1NFKB1
SCHEMBL29695505 0.82 MAPT (0.69) RAB9ANPC1MAPTMAPK1NFKB1
SCHEMBL21672383 0.81 MAPT (0.69) RAB9ANPC1MAPTMAPK1NFKB1
SCHEMBL29393268 0.81 MAPT (0.69) RAB9ANPC1MAPTMAPK1NFKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240400555-A1 Compounds, Compositions and Methods for Attenuation of Mammalian Translation of C-MYC or N-MYC Proteins of the MYC Proto-Oncogene Family of BHLH Transcription Factors INITIAL THERAPEUTICS, INC. (US) 2024-12-05 — — US disclosed
WO-2024226875-A2 COMPOUNDS, COMPOSITIONS AND METHODS FOR ATTENUATION OF MAMMALIAN TRANSLATION OF C-MYC OR N-MYC PROTEINS OF THE MYC PROTO-ONCOGENE FAMILY OF BHLH TRANSCRIPTION FACTORS INITIAL THERAPEUTICS, INC. (US) 2024-10-31 — — WO disclosed
US-20160058768-A1 SUBSTITUTED AMIDE COMPOUNDS PFIZER (US) 2016-03-03 — — US disclosed
EP-2986599-A1 N-PIPERIDIN-3-YLBENZAMIDE DERIVATIVES FOR TREATING CARDIOVASCULAR DISEASES Pfizer Inc. (US) 2016-02-24 — — EP disclosed
US-9227956-B2 Substituted amide compounds PFIZER INC. (US) 2016-01-05 — — US disclosed
WO-2014170786-A1 N-PIPERIDIN-3-YLBENZAMIDE DERIVATIVES FOR TREATING CARDIOVASCULAR DISEASES PFIZER INC. (US) 2014-10-23 — — WO disclosed
US-20140315928-A1 SUBSTITUTED AMIDE COMPOUNDS PFIZER INC. (US) 2014-10-23 — — US disclosed
US-8816079-B2 Amide derivative and use thereof as medicine MITSUBISHI TANABE PHARMA CORPORATION (JP) 2014-08-26 — — US 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
WO-2012015693-A1 IMIDAZOLE DERIVATIVES MERCK SHARP & DOHME CORP. (US) 2012-02-02 — — WO disclosed
US-7638531-B2 Phenoxypiperidines and analogs thereof useful as histamine H3 antagonists SCHERING CORPORATION (US) 2009-12-29 — — US disclosed
US-7638531-B2 Phenoxypiperidines and analogs thereof useful as histamine H3 antagonists SCHERING CORPORATION (US) 2009-12-29 — — US disclosed
US-20070167435-A1 Phenoxypiperidines and analogs thereof useful as histamine H3 antagonists SCHERING CORPORATION 2007-07-19 — — US disclosed
US-20070167435-A1 Phenoxypiperidines and analogs thereof useful as histamine H3 antagonists SCHERING CORPORATION 2007-07-19 — — US disclosed
WO-2007075629-A2 PHENOXYPIPERIDINES AND ANALOGS THEREOF USEFUL AS HISTAMINE H3 ANTAGONISTS SCHERING CORPORATION (US) 2007-07-05 — — 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 (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-20140315928-A1 SUBSTITUTED AMIDE COMPOUNDS CETP, APOB, LCAT RAB9A 2567/4885NPC1 34/4885MAPT 876/4885
US-20130040930-A1 NOVEL AMIDE DERIVATIVE AND USE THEREOF AS MEDICINE MMP9, MMP10, MMP2 RAB9A 548/4885NPC1 4761/4885MAPT 4490/4885
US-20070167435-A1 Phenoxypiperidines and analogs thereof useful as histamine H3 antagonists HRH4, HRH3, HRH2 RAB9A 3116/4885NPC1 1270/4885MAPT 2125/4885
US-20160058768-A1 SUBSTITUTED AMIDE COMPOUNDS CETP, APOB, LCAT RAB9A 2567/4885NPC1 34/4885MAPT 876/4885
US-20240400555-A1 Compounds, Compositions and Methods for Attenuation of Mammalian Translation of C-MYC or N-MYC Proteins of the MYC Proto-Oncogene Family of BHLH Transcription Factors MYCBP, MYC, MYCBP2 RAB9A 3390/4885NPC1 2057/4885MAPT 2934/4885

“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.