Sugi Predict

Sugi Predict / Compounds / SCHEMBL548571

SCHEMBL548571

SCHEMBL548571

O=[N+]([O-])c1ccc(OP(=O)(Oc2ccc([N+](=O)[O-])cc2)c2ccccc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 3/20 0.63
▸ TDP1 Q9NUW8 1/20 0.63
▸ CA1 P00915 7/20 0.59
▸ CA2 P00918 7/20 0.59
▸ CES2 O00748 1/20 0.59
▸ CES1 P23141 1/20 0.59
▸ CA12 O43570 5/20 0.57
▸ CA4 P22748 5/20 0.57
▸ CA5A P35218 5/20 0.57
▸ CA7 P43166 5/20 0.57
▸ CA9 Q16790 5/20 0.57
▸ CA5B Q9Y2D0 5/20 0.57
▸ BCHE P06276 1/20 0.51
▸ ACHE P22303 1/20 0.51
▸ ALDH1A1 P00352 4/20 0.50
▸ LMNA P02545 2/20 0.50
▸ CYP3A4 P08684 2/20 0.50
▸ MAPK1 P28482 2/20 0.50
▸ HSD17B10 Q99714 2/20 0.50
▸ TP53 P04637 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
SCHEMBL21815508 0.98 L3MBTL1 (0.67) L3MBTL1TDP1CA1CA2CES2
SCHEMBL28914538 0.91 CA1 (0.65) L3MBTL1TDP1CA1CA2CES2
SCHEMBL10405347 0.86 CA1 (0.59) L3MBTL1TDP1CA1CA2CES2
SCHEMBL1901207 0.85 CA1 (0.57) L3MBTL1TDP1CA1CA2CES2
SCHEMBL22748799 0.84 TDP1 (0.61) L3MBTL1TDP1CA1CA2CA12
SCHEMBL11102906 0.83 CA1 (0.56) L3MBTL1TDP1CA1CA2CES2
SCHEMBL3920864 0.83 CA1 (0.56) L3MBTL1CA1CA2CES2CES1
SCHEMBL548572 0.83 CA1 (0.65) L3MBTL1CA1CA2CES2CES1
SCHEMBL10410659 0.82 CA1 (0.63) L3MBTL1CA1CA2CES2CES1
SCHEMBL959287 0.82 CA1 (0.63) L3MBTL1CA1CA2CES2CES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114059192-A Graphene polyimide high-temperature-resistant flame-retardant fiber for electric welding glove and preparation method thereof 南通强生新材料科技股份有限公司 2022-02-18 — — CN claimed
US-8435964-B2 Ectonucleotidase pyrophosphate/phosphodiestrase-1 (ENPP-1) as a target for the treatment of aortic valve stenosis and cardiovascular calcification UNIVERSITE LAVAL (CA) 2013-05-07 — — US claimed
US-4041111-A PHOSPHONIC ACID DICHLORIDE REACTED WITH 2-NAPHTHOL OR 4-NITRO-PHENOL, HYDROLYSIS PURDUE RESEARCH FOUNDATION (US) 1977-08-09 — — US claimed
JP-11263918-A — — None — — JP disclosed
US-20260137765-A1 METHODS OF PRODUCING SHIGA TOXIN B-SUBUNIT (STXB) MONOMERS AND OLIGOMERS, AND USES THEREOF INSTITUT CURIE (FR) 2026-05-21 — — US disclosed
US-12527854-B2 Methods of producing Shiga toxin B-subunit (STxB) monomers and oligomers, and uses thereof INSTITUT CURIE (FR) 2026-01-20 — — US disclosed
EP-3856164-B1 MORPHIC FORMS OF COMPLEMENT FACTOR D INHIBITORS ACHILLION PHARMACEUTICALS INC (US) 2024-08-07 — — EP disclosed
US-11999980-B2 Non-specific nucleases from the genus Pseudomonas for use in facilitating flow of cells through a microfluidic channel Miltenyi Biotec B.V. & Co. KG (DE) 2024-06-04 — — US disclosed
US-11807627-B2 Morphic forms of complement factor D inhibitors Achillon Pharmaceuticals, Inc. (US) 2023-11-07 — — US disclosed
US-20220233673-A1 METHODS OF PRODUCING SHIGA TOXIN B-SUBUNIT (STxB) MONOMERS AND OLIGOMERS, AND USES THEREOF INSTITUT CURIE (FR) 2022-07-28 — — US disclosed
EP-3980057-A1 METHODS OF PRODUCING SHIGA TOXIN B-SUBUNIT (STXB) MONOMERS AND OLIGOMERS, AND USES THEREOF Institut Curie (FR) 2022-04-13 — — EP disclosed
US-5962291-A MONOCLONAL ANTIBODY CAPABLE OF HYDROLYZING A SUBSTRATE; HAS TWO BINDING SITES: ONE FOR FREE METAL ION, ONE FOR SUBSTRATE THE REGENTS OF THE UNIVERSITY OF COLORADO (US) 1999-10-05 — — US disclosed
JP-H11263918-A PRODUCTION OF PIGMENT COMPOUND AND NEW COMPOUND FUJI PHOTO FILM CO LTD 1999-09-28 — — JP disclosed
EP-0906773-A1 Decontaminating composition Etat-Francais représenté par le Délégué Général pour L'Armement (FR) 1999-04-07 — — EP disclosed
US-5783433-A ION EXCHANGING GENENTECH, INC. (US) 1998-07-21 — — US disclosed
EP-0644932-A1 PURIFIED FORMS OF DNASE GENENTECH, INC. (US) 1995-03-29 — — EP disclosed
US-5279823-A Deoxyribonuclease GENENTECH, INC. (US) 1994-01-18 — — US disclosed
WO-1993025670-A1 PURIFIED FORMS OF DNASE GENENTECH, INC. (US) 1993-12-23 — — WO disclosed
US-5254801-A Inducing male sterility for hybrid seed production, cell ablation, counter-negative selection; genetic engineering MONSANTO COMPANY (US) 1993-10-19 — — US disclosed
US-4041111-A PHOSPHONIC ACID DICHLORIDE REACTED WITH 2-NAPHTHOL OR 4-NITRO-PHENOL, HYDROLYSIS PURDUE RESEARCH FOUNDATION (US) 1977-08-09 — — 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 (3 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-12527854-B2 Methods of producing Shiga toxin B-subunit (STxB) monomers and oligomers, and uses thereof STXBP1, RNGTT, UPF1 L3MBTL1 76/4885TDP1 3420/4885CA1 4068/4885
US-11807627-B2 Morphic forms of complement factor D inhibitors CFD, CFH, CFB L3MBTL1 2894/4885TDP1 4078/4885CA1 4405/4885
US-20260137765-A1 METHODS OF PRODUCING SHIGA TOXIN B-SUBUNIT (STXB) MONOMERS AND OLIGOMERS, AND USES THEREOF STXBP1, HBB, UPF1 L3MBTL1 135/4885TDP1 3681/4885CA1 3497/4885

“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.