SCHEMBL845400

SCHEMBL845400

O=[N+]([O-])c1cccc(OP(=O)(O)O)c1[N+](=O)[O-]

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 2/20 0.51
INPPL1 O15357 3/20 0.50
INPP5A Q14642 3/20 0.50
INPP5B P32019 2/20 0.50
TSHR P16473 1/20 0.47
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
ALDH1A1 P00352 5/20 0.43
TDP1 Q9NUW8 3/20 0.43
NPC1 O15118 1/20 0.42
RECQL P46063 1/20 0.42
RAB9A P51151 1/20 0.42
KDM4E B2RXH2 2/20 0.41
HPGD P15428 2/20 0.41
SRC P12931 1/20 0.41
USP2 O75604 1/20 0.41
PDE3A Q14432 1/20 0.41
HSD17B10 Q99714 1/20 0.41
AKT1 P31749 1/20 0.40
S100A4 P26447 1/20 0.40

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
SCHEMBL845399 1.00 GPR35 (0.51) GPR35INPPL1INPP5AINPP5BTSHR
SCHEMBL20587122 0.87 GPR35 (0.49) GPR35INPPL1INPP5AINPP5BTSHR
SCHEMBL845398 0.86 GPR35 (0.50) GPR35TSHRALDH1A1TDP1NPC1
SCHEMBL11606147 0.85 CA1 (0.46) GPR35INPPL1INPP5AINPP5BTSHR
SCHEMBL11774381 0.85 CA1 (0.46) GPR35INPPL1INPP5AINPP5BTSHR
SCHEMBL11889445 0.84 SRC (0.42) GPR35INPPL1INPP5AINPP5BTSHR
SCHEMBL36926 0.84 ALDH1A1 (0.56) GPR35INPPL1INPP5AINPP5BCA1
SCHEMBL36925 0.84 ALDH1A1 (0.56) GPR35INPPL1INPP5AINPP5BCA1
Hydrochloric Acid SCHEMBL29211442 0.84 GPR35 (0.49) GPR35TSHRCA1CA2ALDH1A1
SCHEMBL23647344 0.83 ALDH1A1 (0.55) GPR35INPPL1INPP5AINPP5BCA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118388957-A Preparation method of nylon composite material for household appliance gasket 浙江浩南精密电子有限公司 2024-07-26 CN claimed
CN-113583152-B Cyclodextrin-europium molybdate/lanthanum hybrid microsphere, preparation method thereof and application thereof in fluorescent detection of phosphorus-containing compound 同济大学 2022-07-05 CN claimed
CN-113583152-A Cyclodextrin-europium molybdate/lanthanum hybrid microsphere, preparation method thereof and application thereof in fluorescent detection of phosphorus-containing compound 同济大学 2021-11-02 CN claimed
EP-2481760-B1 INITIATOR SYSTEM FOR CATIONIC POLYMERIZATION AND POLYMERIZATION METHOD USING SAME CHINA PETROLEUM & CHEM CORP (CN) 2021-05-05 EP claimed
EP-1421213-B1 LABELED NUCLEOSIDE POLYPHOSPHATES GE HEALTHCARE BIO SCIENCES (US) 2010-02-17 EP claimed
US-7041812-B2 Labeled nucleoside polyphosphates AMERSHAM BIOSCIENCES CORP (US) 2006-05-09 US claimed
EP-1421213-A4 LABELED NUCLEOSIDE POLYPHOSPHATES AMERSHAM BIOSCIENCES CORP (US) 2005-12-28 EP claimed
EP-1421213-A2 LABELED NUCLEOSIDE POLYPHOSPHATES Amersham Biosciences Corp. (US) 2004-05-26 EP claimed
US-20030124576-A1 Such as (3-cyanocoumarinyl)dideoxyadenosine-5'-triphosphate which reacts with phosophatase to create detectable species (chemiluminescence, fluorescence); substrates for nucleic acid polymerases GLOBAL LIFE SCIENCES SOLUTIONS USA LLC 2003-07-03 US claimed
WO-2003020734-A2 LABELED NUCLEOSIDE POLYPHOSPHATES AMERSHAM BIOSCIENCES CORP (US) 2003-03-13 WO claimed
US-5254430-A Lithographic printing plates FUJI PHOTO FILM CO., LTD. (JP) 1993-10-19 US claimed
US-5230988-A Image exposure of plates of aluminum with phosphate or phosphonate compounds and basic compounds FUJI PHOTO FILM CO., LTD. (JP) 1993-07-27 US claimed
CN-118388957-A Preparation method of nylon composite material for household appliance gasket 浙江浩南精密电子有限公司 2024-07-26 CN disclosed
WO-2024146005-A1 ISOBUTYLENE POLYMERIZATION INITIATION SYSTEM COMPOSITION, POLYMERIZATION METHOD AND USE 浙江信汇新材料股份有限公司 2024-07-11 WO disclosed
CN-116162188-B Isobutene polymerization initiation system composition, polymerization method and application 浙江信汇新材料股份有限公司 2024-01-26 CN disclosed
CN-117126307-A Preparation method and application of cyclodextrin-histidine/lanthanum-based complex 同济大学 2023-11-28 CN disclosed
EP-0139383-A1 Method for expressing foreign genes in schizosaccharomyces pombe and the use in therapeutic formulations of the products, DNA constructs and transformant strains of schizosaccharomyces pombe usable in such method and their preparation ZYMOGENETICS, INC. (US) 1985-05-02 EP disclosed
EP-0137633-A1 Method of expressing alpha-1-antitrypsin in bacteria and its use in therapeutic formulations, and vectors and bacteria for such method and their production ZYMOGENETICS, INC. (US) 1985-04-17 EP disclosed
WO-1985000664-A1 LARGE-LIPOSOME AGGLUTINATION REAGENT AND METHOD COOPER-LIPOTECH, INC. (US) 1985-02-14 WO disclosed
US-3951605-A Instrument for automated immunochemical analysis ROHE SCIENTIFIC CORPORATION (US) 1976-04-20 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 (1 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-20030124576-A1 Such as (3-cyanocoumarinyl)dideoxyadenosine-5'-triphosphate which reacts with phosophatase to create detectable species (chemiluminescence, fluorescence); substrates for nucleic acid polymerases PNP, RNGTT, MTAP GPR35 4690/4885INPPL1 44/4885INPP5A 155/4885

“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.