SCHEMBL116767

SCHEMBL116767

CC(C)(C)OC(=O)Nc1cccc2ncccc12

nearest known ligand 0.65

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.65
KMT2A Q03164 4/20 0.65
PABPC1 P11940 4/20 0.61
EIF4H Q15056 4/20 0.61
ALDH1A1 P00352 4/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
LMNA P02545 1/20 0.57
HTT P42858 1/20 0.57
HDAC6 Q9UBN7 1/20 0.54
RECQL P46063 1/20 0.54
L3MBTL1 Q9Y468 3/20 0.53
KDM4E B2RXH2 2/20 0.53
HSD17B10 Q99714 1/20 0.53
METAP1 P53582 1/20 0.52
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CLK1 P49759 1/20 0.51
MAPT P10636 1/20 0.50

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
SCHEMBL17981164 0.90 PTPN1 (0.56) MEN1KMT2APABPC1EIF4HALDH1A1
SCHEMBL27622622 0.86 P2RX7 (0.58) MEN1KMT2APABPC1EIF4HALDH1A1
SCHEMBL27687613 0.83 METAP1 (0.46) MEN1KMT2APABPC1EIF4HALDH1A1
SCHEMBL6868944 0.82 METAP1 (0.56) MEN1KMT2APABPC1EIF4HLMNA
SCHEMBL12116310 0.82 METAP1 (0.48) MEN1KMT2APABPC1EIF4HALDH1A1
SCHEMBL17981261 0.82 METAP1 (0.53) MEN1KMT2APABPC1EIF4HMETAP1
SCHEMBL8110781 0.81 MEN1 (0.70) MEN1KMT2APABPC1EIF4HALDH1A1
SCHEMBL30858822 0.80 ALDH1A1 (0.57) MEN1KMT2APABPC1EIF4HALDH1A1
SCHEMBL2392457 0.80 METAP1 (0.56) MEN1KMT2ALMNAMETAP1
SCHEMBL15266282 0.80 METAP1 (0.56) LMNAKDM4EMETAP1

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
CN-109311813-B Palladium-catalyzed meta-C-H functionalized universal ligands 斯克利普斯研究院 2023-02-28 CN disclosed
US-20120129854-A1 Pesticidal Arylpyrrolidines BAYER CROPSCIENCE AG (DE) 2012-05-24 US disclosed
US-20120129854-A1 Pesticidal Arylpyrrolidines BAYER CROPSCIENCE AG (DE) 2012-05-24 US disclosed
US-20120129854-A1 Pesticidal Arylpyrrolidines BAYER CROPSCIENCE AG (DE) 2012-05-24 US disclosed
EP-2424838-A1 PESTICIDAL ARYLPYRROLIDINES Bayer CropScience AG (DE) 2012-03-07 EP disclosed
WO-2010124845-A1 PESTICIDAL ARYLPYRROLIDINES BAYER CROPSCIENCE AG (DE) 2010-11-04 WO disclosed
WO-2010124845-A1 PESTICIDAL ARYLPYRROLIDINES BAYER CROPSCIENCE AG (DE) 2010-11-04 WO disclosed
US-20080076924-A1 Piperazines as P2X7 antagonists ABBOTT LABORATORIES 2008-03-27 US disclosed
WO-2008005368-A2 PIPERAZINES AS P2X7 ANTAGONISTS ABBOTT LABORATORIES (US) 2008-01-10 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 (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-20120129854-A1 Pesticidal Arylpyrrolidines DDT, AADAC, AHR MEN1 3664/4885KMT2A 1088/4885PABPC1 3016/4885
US-20080076924-A1 Piperazines as P2X7 antagonists P2RX7, P2RX1, P2RX2 MEN1 4288/4885KMT2A 3643/4885PABPC1 3200/4885

“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.