SCHEMBL1363813

SCHEMBL1363813

CP(=O)(Oc1ccc([N+](=O)[O-])cc1)Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.67
CA2 P00918 3/20 0.67
CES2 O00748 1/20 0.67
CES1 P23141 1/20 0.67
ACHE P22303 2/20 0.62
BCHE P06276 1/20 0.62
HSD17B10 Q99714 4/20 0.61
ALDH1A1 P00352 4/20 0.61
MAPK1 P28482 3/20 0.61
CYP3A4 P08684 2/20 0.61
LMNA P02545 2/20 0.61
TP53 P04637 1/20 0.61
THRB P10828 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
TSHR P16473 1/20 0.56
HSPB1 P04792 1/20 0.48
POLB P06746 2/20 0.47
GAA P10253 1/20 0.47
CA9 Q16790 1/20 0.47
MAPT P10636 2/20 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
SCHEMBL18214676 0.93 CA1 (0.59) CA1CA2CES2CES1ACHE
SCHEMBL25931268 0.91 ALDH1A1 (0.65) CA1CA2CES2CES1ACHE
SCHEMBL3932149 0.88 CA1 (0.67) CA1CA2CES2CES1ACHE
SCHEMBL1898027 0.86 CA1 (0.56) CA1CA2CES2CES1ACHE
SCHEMBL2596732 0.86 CA1 (0.74) CA1CA2CES2CES1ACHE
SCHEMBL9316829 0.85 CES2 (0.68) CA1CA2CES2CES1ACHE
SCHEMBL1363815 0.85 CA1 (0.73) CA1CA2CES2CES1ACHE
SCHEMBL15086926 0.84 CA1 (0.61) CA1CA2CES2CES1ACHE
SCHEMBL35319 0.83 CA1 (0.71) CA1CA2CES2CES1ACHE
SCHEMBL14095660 0.82 ALDH1A1 (0.69) CA1CA2CES2CES1ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200109297-A1 ENZYMATIC ANTIMICROBIAL AND ANTIFOULING COATINGS AND POLYMERIC MATERIALS REACTIVE SURFACES, LTD., LLP (US) 2020-04-09 US disclosed
US-10413769-B2 Paint having cell wall particulate material with a protective organophosphorus esterase REACTIVE SURFACES, LTD., LLP (US) 2019-09-17 US disclosed
US-20170197996-A1 Cholinesterase Inhibitors THE UNIVERSITY OF MONTANA (US) 2017-07-13 US disclosed
US-20170197996-A1 Cholinesterase Inhibitors THE UNIVERSITY OF MONTANA (US) 2017-07-13 US disclosed
US-20170197996-A1 Cholinesterase Inhibitors THE UNIVERSITY OF MONTANA (US) 2017-07-13 US disclosed
CN-101918369-B Uracil or thymine derivatives for the treatment of hepatitis C ABBVIE INC. (BS) 2016-02-24 CN disclosed
CN-102746239-B Uracil or thymine derivatives for the treatment of hepatitis C ABBVIE INC. (BS) 2016-02-10 CN disclosed
CN-105294569-A Uracil or thymine derivatives for the treatment of hepatitis C ABBVIE INC 2016-02-03 CN disclosed
US-20150328490-A1 BIOLOGICAL ACTIVE COATING COMPONENTS, COATINGS, AND COATED SURFACES REACTIVE SURFACES, LTD., LLP 2015-11-19 US disclosed
CN-101801935-B Uracil or thymine derivatives for the treatment of hepatitis C ABBOTT LAB 2014-12-03 CN disclosed
US-20030078203-A1 Covalently reactive transition state analogs and methods of use thereof PAUL, SUDHIR, DR. 2003-04-24 US disclosed
WO-2002079223-A9 COVALENTLY REACTIVE TRANSITION STATE ANALOGS AND METHODS OF USE THEREOF UNIV TEXAS (US) 2003-01-09 WO disclosed
WO-2002079223-A2 COVALENTLY REACTIVE TRANSITION STATE ANALOGS AND METHODS OF USE THEREOF BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2002-10-10 WO disclosed
US-5807688-A ANTIBODY DIRECTED ANZYME PRODRUG THERAPY ZENECA LIMITED (GB) 1998-09-15 US disclosed
WO-1996041173-A1 NANOPARTICLES IMPRINTED WITH RECOGNITION SITES FOR TARGET MOLECULES MARTINEX R & D INC. (CA) 1996-12-19 WO disclosed
EP-0745673-A2 Catalytic antibody regulated prodrug therapy ZENECA LIMITED (GB) 1996-12-04 EP disclosed
US-5314815-A Method for temporarily inhibiting or deactivating serine hydrolase and adduct of serine hydrolase with a phosphonate or phosphate compound THE CATHOLIC UNIVERSITY OF AMERICA (US) 1994-05-24 US disclosed
US-5281523-A Adduct of serine hydrolase and nitrophenyl pnenacyl phosphonate THE CATHOLIC UNIVERSITY OF AMERICA (US) 1994-01-25 US disclosed
US-5110833-A Preparation of synthetic enzymes and synthetic antibodies and use of the thus prepared enzymes and antibodies MOSBACH KLAUS (SE) 1992-05-05 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 (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-20170197996-A1 Cholinesterase Inhibitors BCHE, ACHE, BACE1 CA1 418/4885CA2 2259/4885CES2 264/4885
US-20030078203-A1 Covalently reactive transition state analogs and methods of use thereof SPR, FCGR3B, CD2 CA1 359/4885CA2 1654/4885CES2 170/4885

“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.