SCHEMBL252631

SCHEMBL252631

[C-]#[N+]c1c(C)cccc1C

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 3/20 0.43
CYP1A2 P05177 3/20 0.43
ACHE P22303 3/20 0.42
TSHR P16473 1/20 0.42
ALDH1A1 P00352 4/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA7 P43166 2/20 0.41
CA9 Q16790 2/20 0.41
ESR1 P03372 1/20 0.39
TRPA1 O75762 2/20 0.36
CD44 P16070 1/20 0.36
ATM Q13315 1/20 0.36
TDP1 Q9NUW8 2/20 0.33
CYP3A4 P08684 1/20 0.32
GABRA1 P14867 1/20 0.31
GABRB2 P47870 1/20 0.31

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
SCHEMBL8773530 0.97 CYP2A6 (0.41) CYP2A6CYP1A2ACHETSHRALDH1A1
Hydrochloric Acid SCHEMBL9625686 0.97 CYP2A6 (0.41) CYP2A6CYP1A2ACHETSHRALDH1A1
SCHEMBL7882217 0.85 CYP1A2 (0.36) CYP2A6CYP1A2ACHETSHRALDH1A1
SCHEMBL377159 0.83 ALDH1A1 (0.37) CYP2A6CYP1A2ACHETSHRALDH1A1
SCHEMBL29955866 0.83 ALDH1A1 (0.37) CYP2A6CYP1A2ACHETSHRALDH1A1
SCHEMBL11347627 0.81 CYP1A2 (0.33) CYP1A2ACHETSHRESR1
Hydrochloric Acid SCHEMBL11808601 0.81 ALDH1A1 (0.35) CYP2A6CYP1A2ACHETSHRALDH1A1
Trifluoroacetic Acid SCHEMBL11583476 0.79 ALDH1A1 (0.36) ALDH1A1TRPA1ATM
SCHEMBL7224776 0.79 GABRA1 (0.50) CYP2A6CYP1A2ACHETSHRALDH1A1
SCHEMBL29955843 0.79 GABRA1 (0.41) ALDH1A1ESR1TDP1CYP3A4GABRA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119751360-A 1-Amide-1, 2-dihydro phthalazine compound and preparation method and application thereof 河南警察学院 2025-04-04 CN claimed
CN-118978552-A Cyclometalated Pt (II) complex and preparation method and application thereof 杭州师范大学 2024-11-19 CN claimed
CN-116283678-A Preparation method of C-fluoroalkyl substituted amidine compound and application of C-fluoroalkyl substituted amidine compound in resisting fungal diseases 中国农业大学 2023-06-23 CN claimed
CN-114524852-B Preparation method of temperature solvent double-response chiral platinum complex organosol-gel 海南师范大学 2023-06-09 CN claimed
CN-114524852-A Preparation method of temperature solvent double-response chiral platinum complex organic sol-gel 海南师范大学 2022-05-24 CN claimed
CN-110483572-B Trinuclear gold alkynyl urea complex with tetrahedral oxyanion recognition function and preparation method thereof 广州钰芯传感科技有限公司 2022-04-12 CN claimed
CN-109776605-B Synthesis method of glufosinate-ammonium 浙江工业大学 2021-08-03 CN claimed
EP-3269724-B1 MONONUCLEAR IRON COMPLEX AND ORGANIC SYNTHESIS REACTION USING SAME UNIV KYUSHU NAT UNIV CORP (JP) 2020-04-22 EP claimed
EP-3118205-B1 MONONUCLEAR RUTHENIUM COMPLEX AND ORGANIC SYNTHESIS REACTION USING SAME UNIV KYUSHU NAT UNIV CORP (JP) 2020-04-22 EP claimed
US-20180198163-A1 Non-aqueous electrolytes for lithium-ion batteries comprising an isocyanide GOTION INC (US) 2018-07-12 US claimed
EP-2306788-A1 Iridium compounds and devices made therewith E. I. du Pont de Nemours and Company (US) 2011-04-06 EP claimed
WO-2010105363-A1 CYCLIC AMINO ACID MOLECULES AND METHODS OF PREPARING THE SAME YUDIN ANDREI (CA) 2010-09-23 WO claimed
US-7129518-B2 Electroluminescent iridium compounds with fluorinated phenylpryidines, phenylpyrimidines, and phenylquinolines and devices made with such compounds E.I. DU PONT DE NEMOURS AND COMPANY (US) 2006-10-31 US claimed
US-20040188673-A1 Electroluminescent iridium compounds with fluorinated phenylpryidines, phenylpyrimidines, and phenylquinolines and devices made with such compounds LG CHEM, LTD. (KR) 2004-09-30 US claimed
US-20040108507-A1 Electroluminescent iridium compounds with fluorinated phenylpryidines, phenylpyrimidines, and phenylquinolines and devices made with such compounds LG CHEM, LTD. (KR) 2004-06-10 US claimed
US-20040106007-A1 Electroluminescent iridium compounds with fluorinated phenylpryidines, phenylpyrimidines, and phenylquinolines and devices made with such compounds GRUSHIN VLADIMIR (US) 2004-06-03 US claimed
US-20040094769-A1 Electroluminescent iridium compounds with fluorinated phenylpyridines, phenylprimidines, and phenylquinolines and devices made with such compounds LG CHEM, LTD. (KR) 2004-05-20 US claimed
US-20040089867-A1 Electroluminescent iridium compounds with fluorinated phenylpryidines, phenylpyrimidines, and phenylquinolines and devices made with such compounds LG CHEM, LTD. (KR) 2004-05-13 US claimed
WO-2003063555-A1 ELECTROLUMINESCENT IRIDIUM COMPOUNDS WIHT FLUORINATED PHENYLPYRIDINES, PHENYLPYRIMIDINES, AND PHENYLQUINOLINES AND DEVICES MADE WITH SUCH COMPOUNDS E. I. DU PONT DE NEMOURS AND COMPANY (US) 2003-07-31 WO claimed
US-20020190250-A1 Electroluminescent iridium compounds with fluorinated phenylpyridines, phenylpyrimidines, and phenylquinolines and devices made with such compounds LG CHEM, LTD. (KR) 2002-12-19 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 (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-20180198163-A1 Non-aqueous electrolytes for lithium-ion batteries comprising an isocyanide HCN3, HCN2, CCNL2 CYP2A6 3702/4885CYP1A2 2916/4885ACHE 2571/4885

“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.