SCHEMBL704887

SCHEMBL704887

Brc1ccccc1-c1nnn[nH]1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DCUN1D1 Q96GG9 2/20 0.47
PBRM1 Q86U86 1/20 0.47
NR1H2 P55055 1/20 0.46
NR1H3 Q13133 1/20 0.46
ALDH1A1 P00352 4/20 0.46
MAPK1 P28482 2/20 0.46
MAPT P10636 2/20 0.46
HPGD P15428 2/20 0.46
KDM4E B2RXH2 1/20 0.46
GAA P10253 1/20 0.46
MPI P34949 1/20 0.46
APOBEC3G Q9HC16 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
IDO1 P14902 1/20 0.39
LMNA P02545 1/20 0.39
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
TP53 P04637 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39

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
SCHEMBL30915513 1.00 DCUN1D1 (0.47) DCUN1D1PBRM1NR1H2NR1H3ALDH1A1
SCHEMBL12615990 0.85 ALDH1A1 (0.38) DCUN1D1PBRM1ALDH1A1GAAIDO1
SCHEMBL5096254 0.81 ALDH1A1 (0.44) DCUN1D1PBRM1NR1H2NR1H3ALDH1A1
SCHEMBL1774388 0.76 DCUN1D1 (0.47) DCUN1D1NR1H2NR1H3ALDH1A1HPGD
SCHEMBL3397570 0.76 DCUN1D1 (0.47) DCUN1D1NR1H2NR1H3ALDH1A1MAPK1
SCHEMBL23161505 0.76 MEN1 (0.36) PBRM1ALDH1A1GAAIDO1MEN1
SCHEMBL8326262 0.76 IDO1 (0.39) ALDH1A1IDO1MEN1KMT2A
SCHEMBL918324 0.76 DCUN1D1 (0.47) DCUN1D1ALDH1A1MAPTHPGDKDM4E
SCHEMBL1773419 0.76 IDO1 (0.52) DCUN1D1ALDH1A1MAPK1MAPTHPGD
SCHEMBL7768911 0.76 KCNN4 (0.35) ALDH1A1MEN1KMT2AKCNN4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9724673-B2 Supported alkoxylated organotin reactant, preparation and use for heterogeneous-phase synthesis of tetrazoles UNIVERSITE DE NANTES (FR) 2017-08-08 US claimed
CN-104447599-B A kind of tetrazole heterogeneous ring compound and preparation method thereof ANHUI NORMAL UNIVERSITY (CN) 2016-04-27 CN claimed
EP-2726515-B1 SUPPORTED ALKOXYLATED ORGANOTIN REACTANT, PREPARATION AND USE FOR HETEROGENEOUS-PHASE SYNTHESIS OF TETRAZOLES CENTRE NAT RECH SCIENT (FR) 2015-04-01 EP claimed
CN-104447599-A Tetrazole heterocyclic compound and preparation method thereof UNIV ANHUI NORMAL 2015-03-25 CN claimed
US-20140206825-A1 SUPPORTED ALKOXYLATED ORGANOTIN REACTANT, PREPARATION AND USE FOR HETEROGENEOUS-PHASE SYNTHESIS OF TETRAZOLES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2014-07-24 US claimed
EP-2726515-A1 SUPPORTED ALKOXYLATED ORGANOTIN REACTANT, PREPARATION AND USE FOR HETEROGENEOUS-PHASE SYNTHESIS OF TETRAZOLES Centre National De La Recherche Scientifique (FR) 2014-05-07 EP claimed
WO-2013001235-A1 SUPPORTED ALKOXYLATED ORGANOTIN REACTANT, PREPARATION AND USE FOR HETEROGENEOUS-PHASE SYNTHESIS OF TETRAZOLES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2013-01-03 WO claimed
US-20240308988-A1 Method For Controlling Diamide Resistant Pests and Compounds Therefor SYNGENTA CROP PROTECTION AG (CH) 2024-09-19 US disclosed
CN-118359555-A Preparation method of valsartan intermediate 南京一心和医药科技有限公司 2024-07-19 CN disclosed
EP-4380363-A1 METHOD FOR CONTROLLING DIAMIDE RESISTANT PESTS & COMPOUNDS THEREFOR Syngenta Crop Protection AG (CH) 2024-06-12 EP disclosed
CN-118076228-A Methods for controlling diamide-resistant pests and compounds thereof 先正达农作物保护股份公司 2024-05-24 CN disclosed
WO-2023012081-A1 METHOD FOR CONTROLLING DIAMIDE RESISTANT PESTS & COMPOUNDS THEREFOR SYNGENTA CROP PROTECTION AG (CH) 2023-02-09 WO disclosed
US-10364256-B2 Biaryl pyrazoles as NRF2 regulators GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-07-30 US disclosed
US-5155117-A Hypotensive agents G. D. SEARLE & CO. (US) 1992-10-13 US disclosed
WO-1992016523-A1 5-ARYLHETEROARYLALKYL-1,3,5-TRISUBSTITUTED-1,2,4-TRIAZOLE COMPOUNDS FOR TREATMENT OF CIRCULATORY DISORDERS G.D. SEARLE & CO. (US) 1992-10-01 WO disclosed
EP-0504888-A1 5-Arylheteroarylalkyl-1,3,5-trisubstituted-1,2,4-triazole compounds for treatment of circulatory disorders G.D. Searle & Co. (US) 1992-09-23 EP disclosed
US-5149699-A Substituted pyridopyrimidines useful as antgiotensin II antagonists AMERICAN HOME PRODUCTS CORPORATION (US) 1992-09-22 US disclosed
EP-0497150-A1 Angiotensin II receptor blocking 2,3,6-substituted quinazolones AMERICAN CYANAMID COMPANY (US) 1992-08-05 EP disclosed
EP-0455423-A2 Ortho-lithiation process for the synthesis of 2-substituted 1-(tetrazol-5-yl) benzenes MERCK & CO. INC. (US) 1991-11-06 EP disclosed
US-5039814-A Chemical intermediates for angiotensin antagonist MERCK & CO., INC. (US) 1991-08-13 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-20240308988-A1 Method For Controlling Diamide Resistant Pests and Compounds Therefor DDT, NOS1, SLC11A2 DCUN1D1 58/4885PBRM1 1907/4885NR1H2 2748/4885
US-10364256-B2 Biaryl pyrazoles as NRF2 regulators NFE2L2, KEAP1, NQO1 DCUN1D1 3396/4885PBRM1 2346/4885NR1H2 33/4885
US-20140206825-A1 SUPPORTED ALKOXYLATED ORGANOTIN REACTANT, PREPARATION AND USE FOR HETEROGENEOUS-PHASE SYNTHESIS OF TETRAZOLES ALK, TST, TEKT1 DCUN1D1 991/4885PBRM1 794/4885NR1H2 3954/4885

“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.