SCHEMBL8997602

SCHEMBL8997602

C#CCN1C(=O)NC(C)(C)C1=O

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.61
KMT2A Q03164 4/20 0.52
PDE4A P27815 1/20 0.46
PDE4B Q07343 1/20 0.46
PDE4C Q08493 1/20 0.46
PDE4D Q08499 1/20 0.46
MEN1 O00255 3/20 0.44
TSHR P16473 2/20 0.44
LMNA P02545 1/20 0.44
KDM4E B2RXH2 1/20 0.42
PADI4 Q9UM07 1/20 0.41
HSD17B10 Q99714 1/20 0.41
ALDH1A1 P00352 3/20 0.40
PLA2G7 Q13093 1/20 0.40
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
FPR2 P25090 1/20 0.38
MAPK1 P28482 1/20 0.38

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
SCHEMBL3024718 0.82 POLB (0.42) POLBKMT2APDE4APDE4BPDE4C
SCHEMBL8440701 0.77 POLB (0.57) POLBKMT2APDE4APDE4BPDE4C
SCHEMBL19404136 0.77 POLB (0.68) POLBKMT2APDE4APDE4BPDE4C
SCHEMBL11378894 0.76 POLB (1.00) POLBKMT2APDE4APDE4BPDE4C
SCHEMBL11677768 0.76 POLB (0.74) POLBKMT2APDE4APDE4BPDE4C
SCHEMBL11760694 0.74 POLB (0.33) POLBKMT2ALMNAKDM4EALDH1A1
SCHEMBL5584023 0.74 POLB (0.71) POLBKMT2APDE4APDE4BPDE4C
SCHEMBL3022052 0.73 CYP19A1 (0.36) POLB
SCHEMBL11484950 0.73 LMNA (0.33) POLBKMT2ALMNAKDM4EALDH1A1
SCHEMBL11847614 0.72 POLB (0.68) POLBKMT2APDE4APDE4BPDE4C

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-6056796-A None JP disclosed
US-20240208946-A1 FUNCTIONALIZED MATERIALS AND COMPOUNDS UNIVERSITY OF SOUTH ALABAMA (US) 2024-06-27 US disclosed
CN-111793201-B Terminal methacryloxy three-arm star polyether bonding agent 西安近代化学研究所 2022-09-20 CN disclosed
CN-111793201-A Terminal methacryloxy three-arm star polyether bonding agent 西安近代化学研究所 2020-10-20 CN disclosed
US-20170273307-A1 SILANE-BASED ANTIMICROBIAL COATINGS AND METHODS OF MAKING AND USING THE SAME UNIV TRENT (CA) 2017-09-28 US disclosed
EP-0572191-B1 N-iodopropargyl hydantoin compounds, compositions, preparation, and use as antimicrobial agents ROHM & HAAS (US) 1996-09-04 EP disclosed
US-5346913-A Agricultural fungicides ROHM AND HAAS COMPANY (US) 1994-09-13 US disclosed
JP-H0656796-A N-IODOPROPARGYL HYDANTOIN COMPOUND, ITS COMPOSITION, ITS PRODUCTION AND ITS USE AS ANTIMICROBIAL AGENT ROHM & HAAS CO 1994-03-01 JP disclosed
EP-0572191-A1 N-iodopropargyl hydantoin compounds, compositions, preparation, and use as antimicrobial agents ROHM AND HAAS COMPANY (US) 1993-12-01 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 (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-20170273307-A1 SILANE-BASED ANTIMICROBIAL COATINGS AND METHODS OF MAKING AND USING THE SAME CUTA, SMURF1, TET1 POLB 3134/4885KMT2A 1165/4885PDE4A 4576/4885
US-20240208946-A1 FUNCTIONALIZED MATERIALS AND COMPOUNDS MGMT, VCL, ALG1 POLB 2430/4885KMT2A 2889/4885PDE4A 4541/4885

“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.