SCHEMBL6322393

SCHEMBL6322393

O=C(Oc1ccccc1)Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.64
ALDH1A1 P00352 5/20 0.60
ALOX5 P09917 1/20 0.58
GAA P10253 2/20 0.57
CES2 O00748 1/20 0.55
CES1 P23141 1/20 0.55
BCL9 O00512 1/20 0.54
CTNNB1 P35222 1/20 0.54
KDM4E B2RXH2 2/20 0.54
LMNA P02545 1/20 0.54
PKM P14618 1/20 0.53
KMT2A Q03164 1/20 0.53
MAPT P10636 1/20 0.51
MGLL Q99685 1/20 0.51
POLB P06746 1/20 0.50
MAPK1 P28482 1/20 0.50
SRD5A2 P31213 1/20 0.50
FAAH O00519 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
SCHEMBL20377184 1.00 SMN1; SMN2 (0.64) SMN1; SMN2ALDH1A1ALOX5GAACES2
SCHEMBL26374 0.92 GAA (0.65) SMN1; SMN2ALDH1A1GAACES2CES1
SCHEMBL17022709 0.91 POLB (0.63) SMN1; SMN2ALDH1A1ALOX5GAACES2
Hydrochloric Acid SCHEMBL7895043 0.90 GAA (0.62) SMN1; SMN2ALDH1A1GAACES2CES1
SCHEMBL26654348 0.89 GAA (0.57) SMN1; SMN2ALDH1A1GAACES2CES1
Acetic Acid SCHEMBL28965272 0.89 GAA (0.62) SMN1; SMN2ALDH1A1GAABCL9CTNNB1
SCHEMBL8741192 0.89 ALDH1A1 (0.60) SMN1; SMN2ALDH1A1ALOX5GAACES2
SCHEMBL29769770 0.88 ALOX5 (0.65) SMN1; SMN2ALDH1A1ALOX5GAAKDM4E
SCHEMBL1639306 0.87 GAA (0.59) SMN1; SMN2ALDH1A1GAACES2CES1
SCHEMBL27421509 0.87 ALOX5 (0.60) SMN1; SMN2ALDH1A1ALOX5GAACES2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3409723-B1 POLYCARBONATE RESIN COMPOSITION, HEAT RAY-SHIELDING MOLDED ARTICLE, AND HEAT RAY-SHIELDING LAMINATE SUMITOMO METAL MINING CO (JP) 2023-07-05 EP disclosed
US-20230128167-A1 OLIGOPEPTIDE LINKER INTERMEDIATE AND PREPARATION METHOD THEREOF MABPLEX INTERNATIONAL, LTD. (CN) 2023-04-27 US disclosed
US-11618731-B2 Prodrugs of kallikrein inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 2023-04-04 US disclosed
EP-3532057-B1 PRODRUGS OF KALLIKREIN INHIBITORS BIOCRYST PHARM INC (US) 2022-12-21 EP disclosed
US-20210198204-A1 PRODRUGS OF KALLIKREIN INHIBITORS WILMINGTON TRUST, NATIONAL ASSOCIATION 2021-07-01 US disclosed
US-10759759-B2 Prodrugs of kallikrein inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 2020-09-01 US disclosed
US-10676612-B2 Polycarbonate resin composition, heat ray shielding molded body and heat ray shielding lamination body SUMITOMO METAL MINING CO., LTD. (JP) 2020-06-09 US disclosed
EP-3532057-A1 PRODRUGS OF KALLIKREIN INHIBITORS Biocryst Pharmaceuticals, Inc. (US) 2019-09-04 EP disclosed
US-20190040251-A1 POLYCARBONATE RESIN COMPOSITION, HEAT RAY SHIELDING MOLDED BODY AND HEAT RAY SHIELDING LAMINATION BODY SUMITOMO METAL MINING CO., LTD. (JP) 2019-02-07 US disclosed
EP-3409723-A1 POLYCARBONATE RESIN COMPOSITION, HEAT RAY-SHIELDING MOLDED ARTICLE, AND HEAT RAY-SHIELDING LAMINATE Sumitomo Metal Mining Co., Ltd. (JP) 2018-12-05 EP disclosed
US-6908655-B2 Optical recording medium SONY CORPORATION (JP) 2005-06-21 US disclosed
CN-1198876-C optical polycarbonate resin molding material and optical disk substrate TEIJIN CHEMICALS LTD (JP) 2005-04-27 CN disclosed
CN-1478084-A Compounds useful in treatment of inflammatory diseases 2004-02-25 CN disclosed
CN-1427871-A Aromatic polycarbonate resin composition TEIJIN CHEMICALS LTD (JP) 2003-07-02 CN disclosed
CN-1408767-A Flame retardant aromatic poly cabonic ester resin composition and finished products TEIJIN CHEMICAL CO LTD (JP) 2003-04-09 CN disclosed
CN-1361765-A Aspartyl protease inhibitors VERTEX PHARMA (US) 2002-07-31 CN disclosed
US-20010044004-A1 Optical recording medium SONY CORPORATION (JP) 2001-11-22 US disclosed
CN-1323331-A Polycarbonate resin molding material for optical use and optical disk substrate TEIJIN CHEMICALS LTD (JP) 2001-11-21 CN disclosed
EP-1130587-A2 Optical recording medium SONY CORPORATION (JP) 2001-09-05 EP disclosed
US-5488089-A Curable resin composition KANSAI PAINT CO., LTD. (JP) 1996-01-30 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 (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-20230128167-A1 OLIGOPEPTIDE LINKER INTERMEDIATE AND PREPARATION METHOD THEREOF VIP, DNPEP, PREP SMN1; SMN2 1997/4885ALDH1A1 4667/4885ALOX5 4287/4885
US-20210198204-A1 PRODRUGS OF KALLIKREIN INHIBITORS KLKB1, SERPINB1, KLK1 SMN1; SMN2 3706/4885ALDH1A1 1091/4885ALOX5 788/4885
US-11618731-B2 Prodrugs of kallikrein inhibitors KLKB1, SERPINB1, KLK1 SMN1; SMN2 3706/4885ALDH1A1 1091/4885ALOX5 788/4885
US-10759759-B2 Prodrugs of kallikrein inhibitors KLKB1, SERPINB1, KLK1 SMN1; SMN2 3706/4885ALDH1A1 1091/4885ALOX5 788/4885

“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.