SCHEMBL3479943

SCHEMBL3479943

CCN(CC)CCNC(=O)CC(C)=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP3A4 P08684 2/20 0.46
ALDH1A1 P00352 4/20 0.45
NFKB1 P19838 1/20 0.45
KCNH2 Q12809 1/20 0.45
LMNA P02545 2/20 0.45
KMT2A Q03164 2/20 0.45
SLC22A2 O15244 1/20 0.45
SLC22A1 O15245 1/20 0.45
TSHR P16473 1/20 0.45
ACHE P22303 1/20 0.45
MAPK1 P28482 1/20 0.45
CYP2C19 P33261 1/20 0.45
PAOX Q6QHF9 1/20 0.44
BLM P54132 2/20 0.44
POLB P06746 1/20 0.44
THRB P10828 1/20 0.44
ATM Q13315 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL3634366 0.83 CYP1A2 (0.51) CYP1A2CYP2D6CYP3A4ALDH1A1NFKB1
SCHEMBL474196 0.83 KMT2A (0.56) CYP1A2CYP2D6CYP3A4ALDH1A1NFKB1
SCHEMBL20249044 0.81 CYP1A2 (0.49) CYP1A2CYP2D6CYP3A4ALDH1A1NFKB1
SCHEMBL11028511 0.81 CYP1A2 (0.49) CYP1A2CYP2D6CYP3A4ALDH1A1NFKB1
SCHEMBL4577893 0.81 CYP1A2 (0.49) CYP1A2CYP2D6CYP3A4ALDH1A1NFKB1
SCHEMBL4577891 0.81 CYP1A2 (0.49) CYP1A2CYP2D6CYP3A4ALDH1A1NFKB1
SCHEMBL474091 0.80 ALDH1A1 (0.53) CYP1A2CYP2D6CYP3A4ALDH1A1NFKB1
SCHEMBL15468358 0.79 CASP2 (0.53) CYP1A2CYP2D6CYP3A4ALDH1A1LMNA
Hydrochloric Acid SCHEMBL5041929 0.79 CYP3A4 (0.50) CYP1A2CYP2D6CYP3A4ALDH1A1NFKB1
SCHEMBL7345247 0.78 DNM1 (0.53) CYP1A2CYP2D6ALDH1A1MAPK1CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115260123-A Acetaminosulface potassium composition and preparation method thereof 南通醋酸化工股份有限公司 2022-11-01 CN claimed
CN-115260124-A Acesulfame potassium composition and method for producing the same 南通醋酸化工股份有限公司 2022-11-01 CN claimed
CN-114409613-A Anti-caking acesulfame potassium and preparation method thereof 南通醋酸化工股份有限公司 2022-04-29 CN claimed
CN-113896692-A Preparation method of acesulfame potassium composition 南通醋酸化工股份有限公司 2022-01-07 CN claimed
CN-113880787-A Method for preparing acesulfame potassium 南通醋酸化工股份有限公司 2022-01-04 CN claimed
CN-113861083-A Preparation method of acetoacetyl sulfanilamide triethylamine salt 南通醋酸化工股份有限公司 2021-12-31 CN claimed
CN-113788802-A Method for preparing acesulfame potassium 南通醋酸化工股份有限公司 2021-12-14 CN claimed
CN-113773278-A Acetaminosulface potassium composition and preparation process thereof 南通醋酸化工股份有限公司 2021-12-10 CN claimed
CN-113563284-A Preparation method of acesulfame potassium composition 南通醋酸化工股份有限公司 2021-10-29 CN claimed
CN-113563283-A Preparation method of acesulfame potassium composition 南通醋酸化工股份有限公司 2021-10-29 CN claimed
CN-115260124-A Acesulfame potassium composition and method for producing the same 南通醋酸化工股份有限公司 2022-11-01 CN disclosed
CN-115260123-A Acetaminosulface potassium composition and preparation method thereof 南通醋酸化工股份有限公司 2022-11-01 CN disclosed
CN-114409613-A Anti-caking acesulfame potassium and preparation method thereof 南通醋酸化工股份有限公司 2022-04-29 CN disclosed
CN-113896692-A Preparation method of acesulfame potassium composition 南通醋酸化工股份有限公司 2022-01-07 CN disclosed
CN-113880787-A Method for preparing acesulfame potassium 南通醋酸化工股份有限公司 2022-01-04 CN disclosed
WO-2010136458-A1 PROCESS FOR THE PREPARATION OF N-[2-DIETHYLAMINO)ETHYL]-5-[(5-FLUORO-1,2-DIHYDRO-2-OXO-3H-INDOL-3-YLIDENE)METHYL]-2,4-DIMETHYL-1H-PYRROLE-3-CARBOXAMIDE RATIOPHARM GMBH (DE) 2010-12-02 WO disclosed
WO-2010136458-A1 PROCESS FOR THE PREPARATION OF N-[2-DIETHYLAMINO)ETHYL]-5-[(5-FLUORO-1,2-DIHYDRO-2-OXO-3H-INDOL-3-YLIDENE)METHYL]-2,4-DIMETHYL-1H-PYRROLE-3-CARBOXAMIDE RATIOPHARM GMBH (DE) 2010-12-02 WO disclosed
WO-2009157011-A1 PROCESS FOR THE PREPARATION OF HIGH PURITY SUNITINIB AND ITS PHARMACEUTICALLY ACCEPTABLE SALT NATCO PHARMA LIMITED (IN) 2009-12-30 WO disclosed
US-20090062368-A1 DEUTERIUM-ENRICHED SUNITINIB PROTIA, LLC (US) 2009-03-05 US disclosed
US-20060009510-A1 Method of synthesizing indolinone compounds PHARMACIA & UPJOHN COMPANY LLC 2006-01-12 US 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-20090062368-A1 DEUTERIUM-ENRICHED SUNITINIB SRMS, KDR, ABL1 CYP1A2 3797/4885CYP2D6 1041/4885CYP3A4 2555/4885
US-20060009510-A1 Method of synthesizing indolinone compounds HCCS, ALDH18A1, MKI67 CYP1A2 288/4885CYP2D6 260/4885CYP3A4 703/4885

“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.