SCHEMBL1405183

SCHEMBL1405183

CCN(CC)C(=O)CC#N

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.48
MCL1 Q07820 4/20 0.43
DPP4 P27487 2/20 0.41
ALDH1A1 P00352 4/20 0.36
MMP1 P03956 1/20 0.36
MMP2 P08253 1/20 0.36
MMP3 P08254 1/20 0.36
MMP8 P22894 1/20 0.36
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
KDM4E B2RXH2 1/20 0.34
MLYCD O95822 1/20 0.33
TSHR P16473 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
MAPT P10636 1/20 0.33
RECQL P46063 1/20 0.33
MAPK1 P28482 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TSPO P30536 1/20 0.32
HCRTR2 O43614 1/20 0.32

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
SCHEMBL4943847 1.00 LMNA (0.48) LMNAMCL1DPP4ALDH1A1MMP1
Hydrochloric Acid SCHEMBL5796983 0.98 LMNA (0.46) LMNAMCL1DPP4ALDH1A1MMP1
Nitric Acid SCHEMBL14696458 0.88 LMNA (0.39) LMNAMCL1DPP4ALDH1A1MEN1
SCHEMBL30740976 0.85 ALDH1A1 (0.39) LMNAMCL1DPP4ALDH1A1MMP1
SCHEMBL1344936 0.81 ALDH1A1 (0.47) MCL1DPP4ALDH1A1TSHRMAPK1
SCHEMBL4943840 0.80 DPP4 (0.37) LMNAMCL1DPP4
SCHEMBL9653268 0.78
SCHEMBL1962379 0.78 CA12 (0.47) MCL1ALDH1A1MMP1MMP2MMP3
SCHEMBL28722595 0.78 MCL1 (0.38) MCL1DPP4ALDH1A1MEN1KMT2A
SCHEMBL206810 0.77 LMNA (0.50) LMNADPP4ALDH1A1MMP1MMP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118837466-A Method for measuring residual impurities in entacapone by high performance liquid chromatography 山东新华制药股份有限公司 2024-10-25 CN claimed
CN-118287150-A Method for efficiently catalyzing Knoevenagel condensation reaction by porphyrin and quaternary ammonium salt synergistic catalytic system 沈阳药科大学 2024-07-05 CN claimed
US-20240016743-A1 A METHOD FOR PRODUCING ENTACAPONE TABLETS CHINA MEHECO KANGLI PHARMA CO., LTD. (CN) 2024-01-18 US claimed
CN-114577927-B Method for detecting residual impurities in entacapone 河北广祥制药有限公司 2023-09-01 CN claimed
CN-116564602-A Insulating flame-retardant type new energy automobile cable and production process thereof 广东金牌电缆集团股份有限公司 2023-08-08 CN claimed
CN-114577927-A Method for detecting residual impurities in entacapone 河北广祥制药有限公司 2022-06-03 CN claimed
CN-114276605-A High-temperature-resistant halogen-free flame-retardant cable and preparation process thereof 温州网牌电线电缆有限公司 2022-04-05 CN claimed
CN-107017434-B Nonaqueous electrolytic solution and lithium ion secondary battery 宁德新能源科技有限公司 2019-06-11 CN claimed
CN-109286041-A Electrolyte and secondary lithium battery 宁德时代新能源科技股份有限公司 2019-01-29 CN claimed
CN-107017434-A Nonaqueous electrolytic solution and lithium rechargeable battery 宁德新能源科技有限公司 2017-08-04 CN claimed
EP-1701936-A4 AN EFFICIENT PROCESS FOR THE MANUFACTURE OF (E)-ENTACAPONE POLYMORPHIC FORM A WOCKHARDT LTD (IN) 2007-01-24 EP claimed
US-20060258877-A1 Process for the preparation of (E)-2-cyano-3-(3, 4-dihydroxy-5-nitrophenyl)-N, N-diethyl-2-propenamide (entacapone) ALEMBIC LIMITED (IN) 2006-11-16 US claimed
EP-1713768-A2 NOVEL CRYSTALLINE FORMS OF ENTACAPONE AND PRODUCTION THEREOF Cilag AG (CH) 2006-10-25 EP claimed
EP-1701936-A1 AN EFFICIENT PROCESS FOR THE MANUFACTURE OF (E)-ENTACAPONE POLYMORPHIC FORM A Wockhardt Limited (IN) 2006-09-20 EP claimed
EP-1701937-A1 STABLE POLYMORPHS OF (E)-N,N-DIETHYL-2-CYANO-3-(3,4-DIHYDROXY-5-NITROPHENYL)ACRYLAMIDE Wockhardt Limited (IN) 2006-09-20 EP claimed
WO-2006064296-A1 PROCESS FOR THE PREPARATION OF (E)-N,N-DIETHYL-2-CYANO-3(3,4-DIHYDROXY-5-NITRO-PHENYL)-ACRYLAMIDE IN STABLE POLYMORPHIC FORM AND INTERMEDIATES OF THE PROCESS ALKALOIDA KUTATO ES FEJLESZTÖ KFT (HU) 2006-06-22 WO claimed
WO-2005070881-A1 AN EFFICIENT PROCESS FOR THE MANUFACTURE OF (E)-ENTACAPONE POLYMORPHIC FORM A WOCKHARDT LIMITED (IN) 2005-08-04 WO claimed
WO-2005066117-A1 STABLE POLYMORPHS OF (E)-N,N-DIETHYL-2-CYANO-3-(3,4-DIHYDROXY-5-NITROPHENYL)ACRYLAMIDE WOCKHARDT LIMITED (IN) 2005-07-21 WO claimed
WO-2005063696-A2 NOVEL CRYSTALLINE FORMS OF ENTACAPONE AND PRODUCTION THEREOF CILAG AG (CH) 2005-07-14 WO claimed
WO-2005063695-A1 NOVEL CRYSTALLINE FORMS OF ENTACAPONE, AND PRODUCTION THEREOF CILAG AG (CH) 2005-07-14 WO 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-20060258877-A1 Process for the preparation of (E)-2-cyano-3-(3, 4-dihydroxy-5-nitrophenyl)-N, N-diethyl-2-propenamide (entacapone) GNE, DDT, NME2 LMNA 319/4885MCL1 4300/4885DPP4 595/4885

“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.