Sugi Predict

Sugi Predict / Compounds / SCHEMBL5080248

SCHEMBL5080248

SCHEMBL5080248

O=[N+]([O-])c1ccc(Oc2ccccc2O)cc1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HSPB1 P04792 3/20 0.56
▸ MEN1 O00255 4/20 0.49
▸ KMT2A Q03164 4/20 0.49
▸ MAPT P10636 4/20 0.49
▸ ALDH1A1 P00352 3/20 0.49
▸ MAPK1 P28482 2/20 0.49
▸ RAB9A P51151 2/20 0.49
▸ NPC1 O15118 1/20 0.49
▸ NPSR1 Q6W5P4 1/20 0.49
▸ MYOC Q99972 1/20 0.49
▸ PDE7A Q13946 1/20 0.48
▸ KDM4E B2RXH2 1/20 0.48
▸ SRD5A2 P31213 1/20 0.47
▸ LMNA P02545 2/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ HTT P42858 1/20 0.47
▸ CA1 P00915 2/20 0.46
▸ CA2 P00918 2/20 0.46
▸ CA9 Q16790 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
SCHEMBL7632959 0.87 HSPB1 (0.66) HSPB1MEN1KMT2AMAPTALDH1A1
SCHEMBL28248819 0.85 HSPB1 (0.51) HSPB1MEN1KMT2AMAPTALDH1A1
SCHEMBL9087468 0.82 HSPB1 (0.59) HSPB1MEN1KMT2AMAPTALDH1A1
SCHEMBL29024081 0.81 CA2 (0.54) MEN1KMT2AMAPTALDH1A1MAPK1
2,4'-Oxybis(Nitrobenzene) SCHEMBL9474586 0.81 HSPB1 (0.62) HSPB1MEN1KMT2AMAPTALDH1A1
SCHEMBL11470258 0.80 MAPT (0.57) HSPB1MEN1KMT2AMAPTALDH1A1
SCHEMBL5549349 0.80 TTR (0.55) HSPB1MEN1KMT2AMAPTALDH1A1
SCHEMBL5082634 0.79 ALDH1A1 (0.66) HSPB1MEN1KMT2AMAPTALDH1A1
SCHEMBL4378038 0.79 HSPB1 (0.56) HSPB1MEN1KMT2AMAPTALDH1A1
SCHEMBL1283503 0.79 HSPB1 (0.56) HSPB1MEN1KMT2AMAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104230985-B Preparation method of (s)-2-[(s)-(4-nitro-phenoxy)-phenoxy-phosphoryl amino] isopropyl propionate 北京天弘天达医药科技有限公司 2017-01-18 — — CN claimed
CN-104478976-A Preparation method for sofosbuvir SUZHOU MIRACPHARMA TECHNOLOGY CO LTD 2015-04-01 — — CN claimed
CN-104230985-A Preparation method of (s)-2-[(s)-(4-nitro-phenoxy)-phenoxy-phosphoryl amino] isopropyl propionate BEIJING THTD PHARMACEUTICAL TECHNOLOGY CO LTD 2014-12-24 — — CN claimed
CN-100368383-C Fluorine containing asymmetric aromatic ether diamine and preparation and use thereof UNIV LANZHOU (CN) 2008-02-13 — — CN claimed
CN-1821215-A Fluorine containing asymmetric aromatic ether diamine and preparation and use thereof UNIV LANZHOU (CN) 2006-08-23 — — CN claimed
JP-56039096-A — — None — — JP disclosed
CN-108779136-A Diastereoselective Synthesis of Phosphate Derivatives and Gemcitabine Prodrug NUC-1031 努卡那有限公司 2018-11-09 — — CN disclosed
CN-105541728-B A kind of preparation method of N-4 benzoylcytosines 宁夏联森生物科技有限公司 2018-07-24 — — CN disclosed
CN-104470939-B D-amino acid compounds for liver diseases 埃迪尼克斯医药有限责任公司 2017-04-26 — — CN disclosed
CN-104017020-B Nucleoside phosphoramidates 吉利德制药有限责任公司 2017-04-12 — — CN disclosed
CN-104230985-B Preparation method of (s)-2-[(s)-(4-nitro-phenoxy)-phenoxy-phosphoryl amino] isopropyl propionate 北京天弘天达医药科技有限公司 2017-01-18 — — CN disclosed
CN-105541728-A Preparation method for N4-benzoylcytosine NINGXIA LIANSEN BIOLOGICAL SCIENC AND TECH CO LTD 2016-05-04 — — CN disclosed
CN-1281574-C Diphenyl ether kind compound and its synthesis method UNIV SICHUAN (CN) 2006-10-25 — — CN disclosed
CN-1821215-A Fluorine containing asymmetric aromatic ether diamine and preparation and use thereof UNIV LANZHOU (CN) 2006-08-23 — — CN disclosed
EP-1664051-A2 PYRROLOPYRIDAZINE COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF PROLIFERATIVE DISORDERS Bristol-Myers Squibb Company (US) 2006-06-07 — — EP disclosed
US-7030112-B2 Pyrrolopyridazine compounds and methods of use thereof for the treatment of proliferative disorders BRISTOL-MYERS SQUIBB COMPANY (US) 2006-04-18 — — US disclosed
WO-2005030144-A2 PYRROLOPYRIDAZINE COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF PROLIFERATIVE DISORDERS BRISTOL-MYERS SQUIBB COMPANY (US) 2005-04-07 — — WO disclosed
CN-1597657-A Diphenyl ether kind compound and its synthesis method UNIV SICHUAN (CN) 2005-03-23 — — CN disclosed
US-20040209886-A1 Pyrrolopyridazine compounds and methods of use thereof for the treatment of proliferative disorders BRISTOL-MYERS SQUIBB COMPANY 2004-10-21 — — US disclosed
JP-S5639096-A ORGANIC PHOSPHORIC ESTER DERIVATIVE AND INSECTICIDE, ACARICIDE AND NEMATOCIDE CONTAINING THE SAME KUMIAI CHEM IND CO LTD 1981-04-14 — — JP 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 (1 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-20040209886-A1 Pyrrolopyridazine compounds and methods of use thereof for the treatment of proliferative disorders PCNA, DPYD, MALT1 HSPB1 1426/4885MEN1 2317/4885KMT2A 2925/4885

“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.