Sugi Predict

Sugi Predict / Compounds / SCHEMBL694246

SCHEMBL694246

SCHEMBL694246

CC(=O)Nc1ccc(O)cc1[N+](=O)[O-]

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPSR1 Q6W5P4 4/20 0.66
▸ MAPT P10636 4/20 0.66
▸ HTT P42858 2/20 0.59
▸ KMT2A Q03164 3/20 0.58
▸ KCNMA1 Q12791 2/20 0.57
▸ POLB P06746 2/20 0.54
▸ PKM P14618 1/20 0.54
▸ ALDH3A1 P30838 1/20 0.50
▸ TDP1 Q9NUW8 1/20 0.48
▸ RXFP1 Q9HBX9 1/20 0.48
▸ ABCB1 P08183 1/20 0.47
▸ ABCC1 P33527 1/20 0.47
▸ ALDH1A1 P00352 4/20 0.47
▸ LMNA P02545 2/20 0.47
▸ GALR2 O43603 1/20 0.47
▸ MITF O75030 1/20 0.47
▸ HSP90AA1 P07900 1/20 0.47
▸ HPGD P15428 1/20 0.47
▸ XBP1 P17861 1/20 0.47
▸ CCR6 P51684 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
Acetic Acid SCHEMBL27684276 0.97 MAPT (0.62) NPSR1MAPTHTTKMT2AKCNMA1
SCHEMBL11215556 0.87 NPSR1 (0.62) NPSR1MAPTHTTKMT2AKCNMA1
SCHEMBL2282371 0.85 MAPT (0.68) NPSR1MAPTHTTKMT2AKCNMA1
SCHEMBL4835079 0.83 MAPT (0.66) NPSR1MAPTHTTKMT2APOLB
SCHEMBL12426042 0.83 HTT (0.82) NPSR1MAPTHTTKMT2APOLB
SCHEMBL1532370 0.83 MAPT (0.66) NPSR1MAPTHTTKMT2AKCNMA1
SCHEMBL29657482 0.83 MAPT (0.66) NPSR1MAPTHTTKMT2APOLB
SCHEMBL27810682 0.83 KCNMA1 (0.53) MAPTKMT2AKCNMA1POLBPKM
SCHEMBL5163517 0.82 MAPT (0.64) NPSR1MAPTHTTKMT2APOLB
SCHEMBL978546 0.82 MAPT (0.64) NPSR1MAPTHTTKMT2APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130053598-A1 METHOD FOR PRODUCING A CROSS-COUPLING PRODUCT OF A BENZENOID DIAZONIUM SALT ZYLUM BETEILIGUNGSGESELLSCHAFT MBH & CO. PATENTE II KG (DE) 2013-02-28 — — US disclosed
US-20130053598-A1 METHOD FOR PRODUCING A CROSS-COUPLING PRODUCT OF A BENZENOID DIAZONIUM SALT ZYLUM BETEILIGUNGSGESELLSCHAFT MBH & CO. PATENTE II KG (DE) 2013-02-28 — — US disclosed
EP-2421822-A1 METHOD FOR PRODUCING A CROSS-COUPLING PRODUCT OF A BENZENOID DIAZONIUM SALT Zylum Beteiligungsgesellschaft mbH & Co. Patente II KG (DE) 2012-02-29 — — EP disclosed
WO-2010122105-A1 METHOD FOR PRODUCING A CROSS-COUPLING PRODUCT OF A BENZENOID DIAZONIUM SALT ZYLUM BETEILIGUNGSGESELLSCHAFT MBH & CO. PATENTE II KG (DE) 2010-10-28 — — WO disclosed
WO-2010122105-A1 METHOD FOR PRODUCING A CROSS-COUPLING PRODUCT OF A BENZENOID DIAZONIUM SALT ZYLUM BETEILIGUNGSGESELLSCHAFT MBH & CO. PATENTE II KG (DE) 2010-10-28 — — WO disclosed
CN-1966495-B Method for preparing 5-(4- fluobenzene sulphonyloxy) benzimidazole-2-amido methyl formate CHANGZHOU YABANG QIHUI FINE CHEMICALS CO LTD 2010-06-16 — — CN disclosed
CN-101450939-A Novel benzimidazoles compounds UNIV SHENYANG PHARMACEUTICAL (CN) 2009-06-10 — — CN disclosed
US-7432392-B2 Ester derivatives and medical use thereof JAPAN TOBACCO INC. (JP) 2008-10-07 — — US disclosed
CN-1966495-A Method for preparing 5-(4- fluobenzene sulphonyloxy) benzimidazole-2-amido methyl formate CHANGZHOU YABANG QIHUI FINE CH (CN) 2007-05-23 — — CN disclosed
US-20050014812-A1 Benzimidazole compounds FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2005-01-20 — — US disclosed
US-4337061-A NITRO DYES IN AQUEOUS SOLUTION SOCIETE ANONYME DITE: L'OREAL (FR) 1982-06-29 — — US disclosed
US-4299837-A IN ANIMALS MONTEDISON S.P.A. (IT) 1981-11-10 — — US disclosed
US-4169091-A Symmetrical and asymmetrical disazo compounds containing a bis-(nitro-aryloxy)alkane middle component HOECHST AKTIENGESELLSCHAFT (DE) 1979-09-25 — — US disclosed
US-4080461-A PESTICIDES, FUNGICIDES SYNTEX (U.S.A.) INC. (US) 1978-03-21 — — US disclosed
US-4072696-A 5(6)-Benzene ring substituted benzimidazole-2-carbamate derivatives having anthelmintic activity SYNTEX (U.S.A.) INC. (US) 1978-02-07 — — US disclosed
US-4011320-A PESTICIDES, FUNGICIDES SYNTEX (U.S.A.) INC. (US) 1977-03-08 — — US disclosed
US-4005202-A 5(6)-Benzene ring substituted benzimidazole-2-carbamate derivatives having anthelmintic activity SYNTEX (U.S.A.) INC. (US) 1977-01-25 — — US disclosed
US-4002640-A ANTIFUNGAL AGENTS SYNTEX (U.S.A.) INC. (US) 1977-01-11 — — US disclosed
US-3993768-A FUNGICIDES SYNTEX (U.S.A.) INC. (US) 1976-11-23 — — US disclosed
US-3935209-A 5(6)-Benzene ring substituted benzimidazole-2-carbamate derivatives having anthelmintic activity SYNTEX (U.S.A.) INC. (US) 1976-01-27 — — 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 (2 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-20130053598-A1 METHOD FOR PRODUCING A CROSS-COUPLING PRODUCT OF A BENZENOID DIAZONIUM SALT CBR3, CBR1, NOX3 NPSR1 749/4885MAPT 4849/4885HTT 3701/4885
US-20050014812-A1 Benzimidazole compounds SLC5A1, SLC5A2, G6PD NPSR1 4348/4885MAPT 3168/4885HTT 2992/4885

“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.