SCHEMBL628308

SCHEMBL628308

CCCCCc1c[nH]nn1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.44
MIF P14174 1/20 0.36
CYP19A1 P11511 6/20 0.35
HRH4 Q9H3N8 2/20 0.34
HRH3 Q9Y5N1 2/20 0.34
S1PR1 P21453 1/20 0.33
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
Hydrochloric Acid SCHEMBL27830421 0.98 KCNH2 (0.42) KCNH2MIFCYP19A1HRH4HRH3
SCHEMBL5603669 0.98 KCNH2 (0.47) KCNH2MIFCYP19A1HRH4HRH3
SCHEMBL245886 0.98 KCNH2 (0.47) KCNH2MIFCYP19A1HRH4HRH3
SCHEMBL5023555 0.98 KCNH2 (0.47) KCNH2MIFCYP19A1HRH4HRH3
SCHEMBL5601502 0.98 KCNH2 (0.47) KCNH2MIFCYP19A1HRH4HRH3
SCHEMBL5600895 0.98 KCNH2 (0.47) KCNH2MIFCYP19A1HRH4HRH3
SCHEMBL16196855 0.98 KCNH2 (0.47) KCNH2MIFCYP19A1HRH4HRH3
SCHEMBL245127 0.98 KCNH2 (0.47) KCNH2MIFCYP19A1HRH4HRH3
SCHEMBL243705 0.98 KCNH2 (0.47) KCNH2MIFCYP19A1HRH4HRH3
Sulfuric Acid SCHEMBL16340544 0.89 KCNH2 (0.37) KCNH2MIFS1PR1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117946016-A Triazole aryl polyether compound and CO2Gas-soluble viscosity reducer and thickened oil CO2Cold recovery method for improving recovery ratio 中国石油化工股份有限公司 2024-04-30 CN claimed
US-11939336-B2 Aryl triazole cages INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2024-03-26 US claimed
CN-114957348-B Method for synthesizing On-DNA (deoxyribonucleic acid) arylbenzotriazole compound and derivative thereof 成都先导药物开发股份有限公司 2024-02-23 CN 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-1079963-A In the trimethyl carbinol, form triazol inone ring FMC CORP (US) 1993-12-29 CN claimed
US-5226976-A Corrosion Resistance, Triazoles, Hydroxyalkylamino-substituted Vinylphenol Polymer HENKEL CORPORATION (US) 1993-07-13 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-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-4409121-A PHOSPHATES, PHOSPHONATES UOP INC. (US) 1983-10-11 US claimed
US-4304569-A Formulation for brightening synthetic fibers and its preparation and use CASSELLA AG. (DE) 1981-12-08 US claimed
US-4115288-A Lubricants containing substituted triazoles as antiwear agents MOBIL OIL CORPORATION (US) 1978-09-19 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 (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-11939336-B2 Aryl triazole cages CAT, SOD1, SOD3 KCNH2 1791/4885MIF 180/4885CYP19A1 2856/4885
US-11649256-B2 Catalysts for olefin polymerization CDK13, CYP2A13, ORC3 KCNH2 4426/4885MIF 4444/4885CYP19A1 106/4885

“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.