SCHEMBL628307

SCHEMBL628307

CCCCCn1ccnn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 1/20 0.42
TLR8 Q9NR97 2/20 0.40
CYP19A1 P11511 2/20 0.39
SLC9A1 P19634 3/20 0.37
SMPD1 P17405 4/20 0.36
POLB P06746 3/20 0.34
NPC1 O15118 3/20 0.34
HTT P42858 3/20 0.34
RAB9A P51151 3/20 0.34
ALDH1A1 P00352 2/20 0.34
LMNA P02545 2/20 0.34
KMT2A Q03164 1/20 0.34
PABPC1 P11940 1/20 0.34
APOBEC3A P31941 1/20 0.34
APOBEC3G Q9HC16 1/20 0.34
DPP4 P27487 1/20 0.34
GALR3 O60755 2/20 0.33
ATM Q13315 1/20 0.33
KDM4E B2RXH2 1/20 0.33
HSP90AA1 P07900 1/20 0.33

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
SCHEMBL3302887 0.98 TBXAS1 (0.46) TBXAS1TLR8CYP19A1SLC9A1SMPD1
SCHEMBL245126 0.98 TBXAS1 (0.46) TBXAS1TLR8CYP19A1SLC9A1SMPD1
SCHEMBL245885 0.98 TBXAS1 (0.46) TBXAS1TLR8CYP19A1SLC9A1SMPD1
SCHEMBL243704 0.98 TBXAS1 (0.46) TBXAS1TLR8CYP19A1SLC9A1SMPD1
SCHEMBL21925549 0.98 TBXAS1 (0.46) TBXAS1TLR8CYP19A1SLC9A1SMPD1
SCHEMBL20204363 0.98 TBXAS1 (0.46) TBXAS1TLR8CYP19A1SLC9A1SMPD1
SCHEMBL11204798 0.98 TBXAS1 (0.46) TBXAS1TLR8CYP19A1SLC9A1SMPD1
Sulfuric Acid SCHEMBL16340543 0.89 ALDH1A1 (0.38) TBXAS1TLR8CYP19A1SLC9A1SMPD1
SCHEMBL9634208 0.88 MGLL (0.45) TBXAS1
SCHEMBL18723226 0.88 TBXAS1 (0.35) TBXAS1TLR8CYP19A1SLC9A1SMPD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11939336-B2 Aryl triazole cages INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2024-03-26 US claimed
WO-2023239909-A1 TRIAZOLE SYNTHESIS, COMPOSITIONS, SYSTEMS AND METHODS DOBER CHEMICAL CORP. (US) 2023-12-14 WO claimed
CN-114671816-B Preparation method of axial chiral aryl triazole compound 浙江大学 2023-11-17 CN claimed
US-11649256-B2 Catalysts for olefin polymerization EXXONMOBIL CHEMICAL PATENTS INC. (US) 2023-05-16 US claimed
US-20230128348-A1 TREATMENT OF HYPERINFLAMMATORY SYNDROME Remicine IP B.V. (NL) 2023-04-27 US claimed
EP-4125843-A1 TREATMENT OF HYPERINFLAMMATORY SYNDROME Nomoreitis B.V. (BE) 2023-02-08 EP claimed
CN-115605194-A Treatment of excessive inflammatory syndrome 诺莫雷蒂斯私人有限公司(BE) 2023-01-13 CN claimed
CN-114671816-A Preparation method of axial chiral aryl triazole compound 浙江大学 2022-06-28 CN claimed
CN-114478504-A CD-ROM molecular motor artificial ion transmission system with antibacterial and anti-tumor activities and application thereof 华东理工大学 2022-05-13 CN claimed
US-20210363150-A1 ARYL TRIAZOLE CAGES UNITED STATES DEPARTMENT OF ENERGY 2021-11-25 US claimed
EP-0686691-A1 Aqueous emulsions with brighteners THE PROCTER & GAMBLE COMPANY (US) 1995-12-13 EP claimed
WO-1994024234-A1 AMIDE/ESTER HETEROCYCLIC DERIVATIVES OF HYDROCARBYLSUCCINIC ANHYDRIDRES AS RUST/CORROSION INHIBITORS ADDITIVES FOR LUBRICANTS MOBIL OIL CORPORATION (US) 1994-10-27 WO claimed
US-5348674-A Heat and wear resistant composition with hydroxy amines and aryltriazoles MOBIL OIL CORPORATION (US) 1994-09-20 US claimed
US-5120456-A Wear, oxidation and corrosion resistance MOBIL OIL CORP. (US) 1992-06-09 US claimed
EP-0422369-A2 Substituted carbamoyltriazoles BAYER AG (DE) 1991-04-17 EP claimed
EP-0185401-B1 HETEROCYCLIC HERBICIDES SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1990-06-06 EP claimed
EP-0029972-B1 PREPARATION FOR BRIGHTENING SYNTHETIC FIBRES, PROCESS FOR ITS PREPARATION AND PROCESS FOR OPTICAL BRIGHTENING CASSELLA Aktiengesellschaft (DE) 1984-09-19 EP claimed
US-4415629-A Insulated conductor ELECTRIC POWER RESEARCH INSTITUTE, INC. (US) 1983-11-15 US claimed
US-4304569-A Formulation for brightening synthetic fibers and its preparation and use CASSELLA AG. (DE) 1981-12-08 US claimed
US-4094634-A Anionic and nonionic emulsified optical brightener suspension with a hydrotropic agent CIBA GEIGY AG (CH) 1978-06-13 US claimed

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-11939336-B2 Aryl triazole cages CAT, SOD1, SOD3 TBXAS1 3362/4885TLR8 3521/4885CYP19A1 2856/4885
US-11649256-B2 Catalysts for olefin polymerization CDK13, CYP2A13, ORC3 TBXAS1 1629/4885TLR8 3361/4885CYP19A1 106/4885
US-20210363150-A1 ARYL TRIAZOLE CAGES CAT, SOD1, SOD3 TBXAS1 3362/4885TLR8 3521/4885CYP19A1 2856/4885

“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.