Sugi Predict

Sugi Predict / Compounds / SCHEMBL3801985

SCHEMBL3801985

SCHEMBL3801985

CC(=O)Nc1ccc(O)c([N+](=O)[O-])c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 1/20 0.68
▸ SMN1; SMN2 Q16637 3/20 0.55
▸ MAPT P10636 5/20 0.54
▸ MAPK1 P28482 4/20 0.54
▸ TDP1 Q9NUW8 1/20 0.54
▸ ALDH1A1 P00352 3/20 0.53
▸ LMNA P02545 3/20 0.52
▸ KMT2A Q03164 3/20 0.52
▸ MEN1 O00255 2/20 0.52
▸ POLB P06746 1/20 0.52
▸ GAA P10253 2/20 0.52
▸ TP53 P04637 1/20 0.51
▸ HPGD P15428 1/20 0.51
▸ TSHR P16473 1/20 0.51
▸ GPR35 Q9HC97 1/20 0.51
▸ ALDH5A1 P51649 1/20 0.51
▸ ABAT P80404 1/20 0.51
▸ EGFR P00533 1/20 0.51
▸ L3MBTL1 Q9Y468 2/20 0.50
▸ P2RX1 P51575 1/20 0.50

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
SCHEMBL358355 0.87 HTT (0.63) HTTSMN1; SMN2MAPTMAPK1TDP1
SCHEMBL11526803 0.86 HTT (0.71) HTTSMN1; SMN2MAPTMAPK1TDP1
SCHEMBL6975308 0.85 MAPT (0.54) HTTSMN1; SMN2MAPTMAPK1ALDH1A1
SCHEMBL2935107 0.85 HTT (0.69) HTTSMN1; SMN2MAPTMAPK1TDP1
SCHEMBL6975312 0.85 MAPT (0.54) HTTSMN1; SMN2MAPTMAPK1ALDH1A1
SCHEMBL7213151 0.84 ALDH1A1 (0.56) HTTSMN1; SMN2MAPTMAPK1ALDH1A1
SCHEMBL7600834 0.83 ALDH1A1 (0.72) HTTSMN1; SMN2MAPTMAPK1TDP1
SCHEMBL27761089 0.83 MAPK1 (0.54) HTTSMN1; SMN2MAPTMAPK1ALDH1A1
SCHEMBL30483195 0.83 ALDH1A1 (0.72) HTTSMN1; SMN2MAPTMAPK1TDP1
SCHEMBL12426042 0.83 HTT (0.82) HTTSMN1; SMN2MAPTMAPK1TDP1

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
CN-114269725-B Anti-influenza virus compound, preparation method and application thereof 西藏海思科制药有限公司 2024-09-17 — — CN disclosed
US-20230079045-A1 ANTI-INFLUENZA VIRUS COMPOUND, PREPARATION METHOD AND USE THEREOF SICHUAN HAISCO PHARMACEUTICAL CO., LTD. (CN) 2023-03-16 — — US disclosed
CN-114269725-A Anti-influenza virus compound and preparation method and application thereof 四川海思科制药有限公司 2022-04-01 — — CN disclosed
WO-2021032209-A1 ANTI-INFLUENZA VIRUS COMPOUND, PREPARATION METHOD AND USE THEREOF 四川海思科制药有限公司 2021-02-25 — — WO disclosed
WO-2020004521-A1 THERAPEUTIC AGENT FOR INFLAMMATORY DISEASES, AUTOIMMUNE DISEASES, FIBROTIC DISEASES, AND CANCER DISEASES Ｍｅｉｊｉ Ｓｅｉｋａファルマ株式会社 2020-01-02 — — WO 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
US-20110050787-A1 TRISAZO COMPOUND, INK COMPOSITION, RECORDING METHOD AND COLORED BODY NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2011-03-03 — — US disclosed
EP-2243768-A1 Phenolic diazonium salt, method for its production and its application Zylum Beteiligungsgesellschaft mbH & Co. Patente II KG (DE) 2010-10-27 — — EP disclosed
EP-0369627-B1 Pyrimidinedione derivative compounds, method of producing the same and antiarrythmic agents containing the same MITSUI TOATSU CHEMICALS (JP) 1994-12-21 — — EP disclosed
US-5008267-A Pyrimidinedione compounds, method of producing the same and antiarrythmic agents containing the same MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1991-04-16 — — US disclosed
EP-0122032-A2 Monitoring of drug levels University of Strathclyde (GB) 1984-10-17 — — EP disclosed
US-4457872-A IMMUNOREGULATORY Yamanouchi Pharmaceutical Co. (JP) 1984-07-03 — — US disclosed
EP-0030436-B1 2-HYDROXYOXANILIC ACID DERIVATIVES AND SALTS, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1984-05-09 — — EP disclosed
US-4417896-A NITRO-,AMINO-,PHENOXYALKANOLS SOCIETE ANONYME DITE: L'OREAL (FR) 1983-11-29 — — US disclosed
US-4337061-A NITRO DYES IN AQUEOUS SOLUTION SOCIETE ANONYME DITE: L'OREAL (FR) 1982-06-29 — — US disclosed
US-4329504-A COUPLERS FOR DYES, HAIR DYES SOCIETE ANONYME DITE: L'OREAL (FR) 1982-05-11 — — US disclosed
EP-0030436-A1 2-Hydroxyoxanilic acid derivatives and salts, their preparation and pharmaceutical compositions containing them YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1981-06-17 — — EP disclosed
US-4259261-A OXIDATION COLOR DYES FOR HAIR L'OREAL (FR) 1981-03-31 — — US disclosed
US-4231964-A Nitroamines, processes for their manufacture and their use as diazo components HOECHST AKTIENGESELLSCHAFT (DE) 1980-11-04 — — US disclosed
US-4025642-A ANTIALLERGENS SMITHKLINE CORPORATION (US) 1977-05-24 — — 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-20230079045-A1 ANTI-INFLUENZA VIRUS COMPOUND, PREPARATION METHOD AND USE THEREOF IDE, ACE, SI HTT 1029/4885SMN1; SMN2 4304/4885MAPT 2824/4885
US-20130053598-A1 METHOD FOR PRODUCING A CROSS-COUPLING PRODUCT OF A BENZENOID DIAZONIUM SALT CBR3, CBR1, NOX3 HTT 3701/4885SMN1; SMN2 1654/4885MAPT 4849/4885

“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.