SCHEMBL1583591

SCHEMBL1583591

C=CC(=O)c1cccnc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.59
APP P05067 2/20 0.59
GAA P10253 1/20 0.59
HCAR3 P49019 1/20 0.59
HCAR2 Q8TDS4 1/20 0.59
CYP1A1 P04798 4/20 0.57
CYP1A2 P05177 4/20 0.57
CYP1B1 Q16678 4/20 0.57
CYP3A4 P08684 2/20 0.57
CYP2D6 P10635 2/20 0.57
AKT1 P31749 1/20 0.57
F7 P08709 1/20 0.57
F3 P13726 1/20 0.57
SARM1 Q6SZW1 1/20 0.57
SIRT2 Q8IXJ6 1/20 0.57
SIRT6 Q8N6T7 1/20 0.57
SIRT1 Q96EB6 1/20 0.57
SIRT3 Q9NTG7 1/20 0.57
SIRT5 Q9NXA8 1/20 0.57
SIRT4 Q9Y6E7 1/20 0.57

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
SCHEMBL29951025 0.82 ALDH1A1 (0.61) ALDH1A1APPGAAHCAR3HCAR2
SCHEMBL27356346 0.82 ALDH1A1 (0.61) ALDH1A1APPGAAHCAR3HCAR2
SCHEMBL2323169 0.82 ALDH1A1 (0.61) ALDH1A1APPGAAHCAR3HCAR2
SCHEMBL7365569 0.81 KMO (0.67) ALDH1A1CYP1A1CYP1A2CYP1B1CYP3A4
SCHEMBL27494751 0.81 CYP1A1 (0.63) ALDH1A1APPGAAHCAR3HCAR2
Bromide SCHEMBL4269509 0.80 ALDH1A1 (0.59) ALDH1A1APPGAAHCAR3HCAR2
Pyridine SCHEMBL27582270 0.80 AKT1 (0.76) ALDH1A1APPGAAHCAR3HCAR2
SCHEMBL27766059 0.80 F7 (0.62) ALDH1A1APPGAAHCAR3HCAR2
SCHEMBL9488231 0.79 PLOD2 (0.59) ALDH1A1APPGAAHCAR3HCAR2
SCHEMBL10036802 0.78 CYP1A1 (0.65) ALDH1A1APPGAAHCAR3HCAR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118598851-A 5-Aminoindole chalcone compound and preparation method and application thereof 平顶山学院 2024-09-06 CN claimed
WO-2023066190-A1 COMPOUNDS AND THEIR USES AS GPR183 INHIBITORS NANJING IMMUNOPHAGE BIOTECH CO., LTD (CN) 2023-04-27 WO claimed
CN-110938845-A Plating solution for electrolytic tinning 上村工业株式会社 2020-03-31 CN claimed
CN-108892859-A A kind of antibacterial song Shandong card 温州医科大学附属第二医院、温州医科大学附属育英儿童医院 2018-11-27 CN claimed
WO-2012145069-A2 MATERIALS AND METHODS USEFUL TO INDUCE CELL DEATH VIA METHUOSIS THE UNIVERSITY OF TOLEDO (US) 2012-10-26 WO claimed
CN-114507215-B Compound serving as PAK4 kinase inhibitor and preparation method and application thereof 成都海博为药业有限公司 2024-09-13 CN disclosed
CN-118598851-A 5-Aminoindole chalcone compound and preparation method and application thereof 平顶山学院 2024-09-06 CN disclosed
CN-114507215-A Compound serving as PAK4 kinase inhibitor and preparation method and application thereof 成都海博为药业有限公司 2022-05-17 CN disclosed
CN-114502555-A Derivatives of 4- (imidazo [1,2-a ] pyridin-3-yl) -N- (pyridin-3-yl) pyrimidin-2-amines for the treatment of proliferative diseases and disorders 常州千红生化制药股份有限公司 2022-05-13 CN disclosed
CN-114269742-A Derivatives of 4- (imidazo [1,2-a ] pyridin-3-yl) -N- (pyridinyl) pyrimidin-2-amines as therapeutic agents 常州千红生化制药股份有限公司 2022-04-01 CN disclosed
CN-108892859-A A kind of antibacterial song Shandong card 温州医科大学附属第二医院、温州医科大学附属育英儿童医院 2018-11-27 CN disclosed
CN-108888316-A A kind of antimicrobial form song Shandong card 温州医科大学附属第二医院、温州医科大学附属育英儿童医院 2018-11-27 CN disclosed
US-20030149065-A1 ARYLKYLAMINE SPIROFUROPYRIDINES USEFUL IN THERAPY ASTRAZENECA AB (SE) 2003-08-07 US disclosed
EP-1147114-B1 NOVEL ARALKYL AMINES OF SPIROFUROPYRIDINES USEFUL IN THERAPY ASTRAZENECA AB (SE) 2003-05-21 EP disclosed
CN-1337964-A Novel spirofuropyridine aralkylamines useful in therapy ASTRAZENECA AB (SE) 2002-02-27 CN disclosed
EP-0989973-A1 CHALCONES HAVING ANTIPROLIFERATIVE ACTIVITY INDENA S.p.A. (IT) 2000-04-05 EP disclosed
WO-1998058913-A1 CHALCONES HAVING ANTIPROLIFERATIVE ACTIVITY INDENA S.P.A. (IT) 1998-12-30 WO disclosed
EP-0441226-A1 (cyanomethyl)pyridines useful as PAF antagonists J. URIACH & CIA. S.A. (ES) 1991-08-14 EP disclosed
US-5011847-A 2,5-diaryl tetrahydrofurans and analogs thereof as PAF antagonists MERCK & CO., INC. (US) 1991-04-30 US disclosed
EP-0402156-A1 New 2,5-diaryl tetrahydrofurans and analogs thereof as PAF antagonists MERCK & CO. INC. (US) 1990-12-12 EP 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 (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-20030149065-A1 ARYLKYLAMINE SPIROFUROPYRIDINES USEFUL IN THERAPY CBR1, CBR3, NR3C2 ALDH1A1 426/4885APP 3542/4885GAA 2700/4885

“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.