SCHEMBL2658166

SCHEMBL2658166

CC#C[CH]c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.38
MAOB P27338 3/20 0.38
TSHR P16473 2/20 0.38
CYP2A6 P11509 1/20 0.38
CYP19A1 P11511 2/20 0.37
MAOA P21397 2/20 0.37
NFE2L2 Q16236 1/20 0.37
LMNA P02545 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CHAT P28329 2/20 0.34
CYP1A1 P04798 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP1B1 Q16678 1/20 0.34
RELA Q04206 1/20 0.33
AKR1C3 P42330 1/20 0.33
TRPA1 O75762 1/20 0.33
GLA P06280 1/20 0.33
TDP1 Q9NUW8 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
SCHEMBL3630769 0.78
SCHEMBL5540674 0.77 NFE2L2 (0.44) ALDH1A1CYP2A6NFE2L2L3MBTL1RELA
SCHEMBL11209703 0.77 MAOB (0.47) ALDH1A1MAOBTSHRLMNAAKR1C3
SCHEMBL4029279 0.73 ALDH1A1 (0.48) ALDH1A1CYP2A6CYP19A1
SCHEMBL2659453 0.73 RELA (0.35) ALDH1A1MAOBTSHRCYP2A6LMNA
SCHEMBL43963 0.73 ALDH1A1 (0.33) ALDH1A1MAOBTSHRCYP2A6LMNA
SCHEMBL3218228 0.73 ALDH1A1 (0.33) ALDH1A1MAOBTSHRCYP2A6LMNA
SCHEMBL2775035 0.72
SCHEMBL4781721 0.72 APP (0.52) ALDH1A1MAOBTSHRCYP2A6LMNA
SCHEMBL3218909 0.70 TLR8 (0.36) ALDH1A1MAOBTSHRCYP2A6LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2786985-A2 Antagonists of the glucagon receptor Metabasis Therapeutics, Inc. (US) 2014-10-08 EP claimed
EP-2129654-A1 NOVEL ANTAGONISTS OF THE GLUCAGON RECEPTOR Metabasis Therapeutics, Inc. (US) 2009-12-09 EP claimed
WO-2008098244-A1 NOVEL ANTAGONISTS OF THE GLUCAGON RECEPTOR METABASIS THERAPEUTICS, INC. (US) 2008-08-14 WO claimed
US-7045529-B2 Imidazopyrimidinyl and imidazopyri dinyl derivatives BRISTOL-MYERS SQUIBB COMPANY (US) 2006-05-16 US claimed
US-20040229887-A1 Novel imidazopyrimidinyl and imidazopyri dinyl derivatives BRISTOL-MYERS SQUIBB PHARMA COMPANY 2004-11-18 US claimed
WO-2024014282-A1 METHOD FOR PRODUCING TRIAZOLE DERIVATIVE ENANTIOMER (R) 株式会社クレハ 2024-01-18 WO disclosed
CN-113727606-B Agricultural/horticultural fungicide, method for controlling plant disease, and product for controlling plant disease 株式会社吴羽 2023-08-15 CN disclosed
EP-3712135-B1 AZOLE DERIVATIVE, INTERMEDIATE COMPOUND, METHOD FOR PRODUCING AZOLE DERIVATIVE, AGENT FOR AGRICULTURAL AND HORTICULTURAL USE, AND MATERIAL PROTECTION AGENT FOR INDUSTRIAL USE KUREHA CORP (JP) 2023-05-03 EP disclosed
US-20220217978-A1 BACTERICIDAL AGENT FOR AGRICULTURAL OR HORTICULTURAL USE, PLANT DISEASE CONTROL METHOD, AND PRODUCT FOR PLANT DISEASE CONTROL USE KUREHA CORPORATION (JP) 2022-07-14 US disclosed
EP-3957177-A1 BACTERICIDAL AGENT FOR AGRICULTURAL OR HORTICULTURAL USE, PLANT DISEASE CONTROL METHOD, AND PRODUCT FOR PLANT DISEASE CONTROL USE Kureha Corporation (JP) 2022-02-23 EP disclosed
CN-113727606-A Agricultural and horticultural bactericide, method for controlling plant disease, and product for controlling plant disease 株式会社吴羽 2021-11-30 CN disclosed
CN-111032631-B Azole derivative, intermediate compound, process for producing azole derivative, agricultural and horticultural chemical, and industrial material protective agent 株式会社吴羽 2021-05-07 CN disclosed
WO-2008098244-A1 NOVEL ANTAGONISTS OF THE GLUCAGON RECEPTOR METABASIS THERAPEUTICS, INC. (US) 2008-08-14 WO disclosed
US-7045529-B2 Imidazopyrimidinyl and imidazopyri dinyl derivatives BRISTOL-MYERS SQUIBB COMPANY (US) 2006-05-16 US disclosed
US-20040229887-A1 Novel imidazopyrimidinyl and imidazopyri dinyl derivatives BRISTOL-MYERS SQUIBB PHARMA COMPANY 2004-11-18 US disclosed
EP-1244666-A1 IMIDAZOPYRIMIDINYL AND IMIDAZOPYRIDINYL DERIVATIVES Bristol-Myers Squibb Pharma Company (US) 2002-10-02 EP disclosed
WO-2001044248-A1 IMIDAZOPYRIMIDINYL AND IMIDAZOPYRIDINYL DERIVATIVES BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2001-06-21 WO disclosed
WO-2000066588-A1 DIRECT C-14 OXIDATION OF OPIOIDS THE GOVERNMENT OF THE UNITED STATES OF AMERICA, REPRESENTED BY THE SECRETARY, DEPARTMENTOF HEALTH A ND HUMAN SERVICES (US) 2000-11-09 WO disclosed
EP-0532528-A1 DERIVATIVES OF HYDROXY AND ALKOXY PYRIDINES PFIZER INC. (US) 1993-03-24 EP disclosed
WO-1991018881-A1 DERIVATIVES OF HYDROXY AND ALKOXY PYRIDINES PFIZER INC. (US) 1991-12-12 WO 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 (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-20040229887-A1 Novel imidazopyrimidinyl and imidazopyri dinyl derivatives CRH, GPR119, CRHR1 ALDH1A1 2432/4885MAOB 2338/4885TSHR 567/4885
US-20220217978-A1 BACTERICIDAL AGENT FOR AGRICULTURAL OR HORTICULTURAL USE, PLANT DISEASE CONTROL METHOD, AND PRODUCT FOR PLANT DISEASE CONTROL USE BROX, MGAM, CYP51A1 ALDH1A1 2202/4885MAOB 1135/4885TSHR 3139/4885

“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.