SCHEMBL1002816

SCHEMBL1002816

CC(C)Cc1ccccc1C(N)=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.50
IRAK4 Q9NWZ3 2/20 0.49
GABRA1 P14867 1/20 0.48
GABRB2 P47870 1/20 0.48
ALDH1A1 P00352 2/20 0.45
TSHR P16473 2/20 0.45
KDM4E B2RXH2 1/20 0.45
MAPT P10636 1/20 0.45
HPGD P15428 1/20 0.45
HSD17B10 Q99714 1/20 0.45
POLB P06746 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
METAP2 P50579 1/20 0.42
BCAT2 O15382 1/20 0.41
KMT2A Q03164 2/20 0.41
EPHX1 P07099 1/20 0.41
KEAP1 Q14145 1/20 0.41
NFE2L2 Q16236 1/20 0.41
PARP1 P09874 2/20 0.40
SIRT2 Q8IXJ6 1/20 0.40

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
SCHEMBL8507009 0.87 IRAK4 (0.47) HTTIRAK4ALDH1A1TSHRKDM4E
SCHEMBL3377091 0.87 IRAK4 (0.47) HTTIRAK4ALDH1A1TSHRKDM4E
SCHEMBL17374631 0.87 IRAK4 (0.47) HTTIRAK4ALDH1A1TSHRKDM4E
SCHEMBL8508451 0.87 IRAK4 (0.47) HTTIRAK4ALDH1A1TSHRKDM4E
SCHEMBL2257068 0.84 GABRA1 (0.52) HTTGABRA1GABRB2ALDH1A1TSHR
SCHEMBL27577617 0.84 GABRA1 (0.48) HTTIRAK4GABRA1GABRB2ALDH1A1
SCHEMBL19143527 0.84 KDM4E (0.49) HTTIRAK4ALDH1A1TSHRKDM4E
SCHEMBL27700923 0.84 IRAK4 (0.45) HTTIRAK4ALDH1A1TSHRKDM4E
SCHEMBL725761 0.82 GABRA1 (0.50) IRAK4GABRA1GABRB2ALDH1A1TSHR
SCHEMBL28845213 0.82 KDM4E (0.47) HTTIRAK4ALDH1A1TSHRKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108473429-B ROR gamma modulators 领先制药控股公司 2021-09-10 CN claimed
EP-3724325-A1 CARBOXYESTERASE POLYPEPTIDES FOR AMIDE COUPLING Codexis, Inc. (US) 2020-10-21 EP claimed
WO-2019118557-A1 CARBOXYESTERASE POLYPEPTIDES FOR AMIDE COUPLING CODEXIS, INC. (US) 2019-06-20 WO claimed
WO-2013007663-A1 2-BENZYLSULFANYL[1,3,4]-OXADIAZOLE DERIVATIVES, AND MEDICAL USE THEREOF Technische Universität Darmstadt (DE) 2013-01-17 WO claimed
EP-2032141-A1 INHIBITORS OF JANUS KINASES Merck & Co., Inc. (US) 2009-03-11 EP claimed
WO-2008107677-A2 THIADIAZOLE AND OXADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS SENEXIS LIMITED (GB) 2008-09-12 WO claimed
WO-2007145957-A1 INHIBITORS OF JANUS KINASES MERCK & CO., INC. (US) 2007-12-21 WO claimed
EP-1370260-A2 AZOLES AS MALONYL-COA DECARBOXYLASE INHIBITORS USEFUL AS METABOLIC MODULATORS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2003-12-17 EP claimed
WO-2002066035-A2 AZOLES AS MALONYL-COA DECARBOXYLASE INHIBITORS USEFUL AS METABOLIC MODULATORS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2002-08-29 WO claimed
US-12286653-B2 Carboxyesterase polypeptides for amide coupling CODEXIS, INC. (US) 2025-04-29 US disclosed
US-20240383905-A1 FGFR INHIBITORS AND METHODS OF USE THEREOF 3H PHARMACEUTICALS CO., LTD. (CN) 2024-11-21 US disclosed
WO-2024105159-A1 LIGANDS OF THE M6A-RNA READERS UNIVERSITY OF ZURICH (CH) 2024-05-23 WO disclosed
CN-117865997-A Mixed hafnium amide complex and preparation method and application thereof 江苏爱姆欧光电材料有限公司 2024-04-12 CN disclosed
US-20230303562-A1 PYRAZOLE COMPOUND AND PREPARATION METHOD THEREFOR AND USE THEREOF SICHUAN KELUN-BIOTECH BIOPHARMACEUTICAL CO., LTD. (CN) 2023-09-28 US disclosed
US-20050165003-A1 Treating Alzheimer's Disease; 4-Chloro-N-(4-hydroxy-3-methoxy-benzyl)-N-(2-oxo-azepan-3-yl)-benzenesulfonamide for example; gamma secretase inhibitors; inhibition of beta-amyloid synthesis with minimal inhibition of Notch Signaling ELAN PHARMACEUTICALS, INC. 2005-07-28 US disclosed
EP-1497261-A1 PHENETHANOLAMINE DERIVATIVES GLAXO GROUP LIMITED (GB) 2005-01-19 EP disclosed
US-20040180939-A1 Acetyl 2-hydroxy-1, 3-diaminoalkanes ELAN PHARMACEUTICALS INC. 2004-09-16 US disclosed
WO-2004024081-A2 ACETYL 2-HYDROXY-1,3 DIAMINOALKANES ELAN PHARMACEUTICALS, INC. (US) 2004-03-25 WO disclosed
CN-1463974-A Process for producing triazolopyrimidine derivative XINGNONG CO LTD (CN) 2003-12-31 CN disclosed
WO-2003091204-A1 PHENETHANOLAMINE DERIVATIVES GLAXO GROUP LIMITED (GB) 2003-11-06 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 (4 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-20230303562-A1 PYRAZOLE COMPOUND AND PREPARATION METHOD THEREFOR AND USE THEREOF CYP51A1, CYP4F11, WEE1 HTT 4591/4885IRAK4 1996/4885GABRA1 1882/4885
US-20050165003-A1 Treating Alzheimer's Disease; 4-Chloro-N-(4-hydroxy-3-methoxy-benzyl)-N-(2-oxo-azepan-3-yl)-benzenesulfonamide for example; gamma secretase inhibitors; inhibition of beta-amyloid synthesis with minimal inhibition of Notch Signaling BACE1, PSEN1, BACE2 HTT 330/4885IRAK4 2471/4885GABRA1 465/4885
US-20240383905-A1 FGFR INHIBITORS AND METHODS OF USE THEREOF FGFR1, FGFR3, FGFR4 HTT 2868/4885IRAK4 1076/4885GABRA1 1315/4885
US-20040180939-A1 Acetyl 2-hydroxy-1, 3-diaminoalkanes BACE1, BACE2, APP HTT 81/4885IRAK4 2228/4885GABRA1 3268/4885

“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.