SCHEMBL15517693

SCHEMBL15517693

COC(=O)COc1c(C)cc([N+](=O)[O-])cc1C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.51
KMT2A Q03164 3/20 0.45
NPBWR1 P48145 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
PDGFRB P09619 1/20 0.45
FGFR1 P11362 1/20 0.45
PDGFRA P16234 1/20 0.45
FLT1 P17948 1/20 0.45
FGFR3 P22607 1/20 0.45
KDR P35968 1/20 0.45
ALDH1A1 P00352 3/20 0.44
RECQL P46063 1/20 0.44
MMP1 P03956 1/20 0.43
MMP9 P14780 1/20 0.43
MMP8 P22894 1/20 0.43
GPR35 Q9HC97 1/20 0.42
MAPT P10636 3/20 0.42
MEN1 O00255 1/20 0.41
PTPN7 P35236 1/20 0.41
PTPN12 Q05209 1/20 0.41

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
SCHEMBL2059346 0.86 MAPT (0.49) KMT2ANPBWR1SMN1; SMN2ALDH1A1GPR35
SCHEMBL2059437 0.84 PTGDR2 (0.47) KMT2ANPBWR1SMN1; SMN2ALDH1A1RECQL
SCHEMBL7712725 0.83 PTGS2 (0.50) PTGS2KMT2ASMN1; SMN2ALDH1A1MAPT
SCHEMBL15517421 0.82 ALDH1A1 (0.49) KMT2ANPBWR1SMN1; SMN2ALDH1A1RECQL
SCHEMBL8060294 0.81 PTGS2 (0.61) PTGS2KMT2ASMN1; SMN2ALDH1A1MAPT
SCHEMBL1549394 0.81 PTGS2 (0.54) PTGS2KMT2ASMN1; SMN2ALDH1A1MAPT
SCHEMBL15516922 0.80 MMP1 (0.48) KMT2ASMN1; SMN2ALDH1A1MMP1MMP9
SCHEMBL12124216 0.79 ALDH1A1 (0.50) KMT2AALDH1A1RECQLMAPTMEN1
SCHEMBL8240786 0.79 MEN1 (0.43) PTGS2KMT2ASMN1; SMN2PDGFRBFGFR1
SCHEMBL3681218 0.78 HSP90AB1 (0.47) KMT2ASMN1; SMN2ALDH1A1MMP1MMP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2890677-B1 N-ACYLHYDRAZONE DERIVATIVES FOR SELECTIVE T CELL INHIBITOR AND ANTI-LYMPHOID MALIGNANCY DRUG CHONG KUN DANG PHARMACEUTICAL CORP (KR) 2017-11-15 EP disclosed
EP-2890677-B1 N-ACYLHYDRAZONE DERIVATIVES FOR SELECTIVE T CELL INHIBITOR AND ANTI-LYMPHOID MALIGNANCY DRUG CHONG KUN DANG PHARMACEUTICAL CORP (KR) 2017-11-15 EP disclosed
CN-104755460-B N-acylhydrazone derivatives for selective T cell inhibitor and anti-lymphoid malignancy drug 株式会社钟根堂 2017-05-10 CN disclosed
US-9447083-B2 N-acylhydrazone derivatives for selective T cell inhibitor and anti-lymphoid malignancy drug CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2016-09-20 US disclosed
US-9447083-B2 N-acylhydrazone derivatives for selective T cell inhibitor and anti-lymphoid malignancy drug CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2016-09-20 US disclosed
US-9447083-B2 N-acylhydrazone derivatives for selective T cell inhibitor and anti-lymphoid malignancy drug CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2016-09-20 US disclosed
US-20150252030-A1 N-ACYLHYDRAZONE DERIVATIVES FOR SELECTIVE T CELL INHIBITOR AND ANTI-LYMPHOID MALIGNANCY DRUG CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2015-09-10 US disclosed
US-20150252030-A1 N-ACYLHYDRAZONE DERIVATIVES FOR SELECTIVE T CELL INHIBITOR AND ANTI-LYMPHOID MALIGNANCY DRUG CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2015-09-10 US disclosed
US-20150252030-A1 N-ACYLHYDRAZONE DERIVATIVES FOR SELECTIVE T CELL INHIBITOR AND ANTI-LYMPHOID MALIGNANCY DRUG CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2015-09-10 US disclosed
EP-2890677-A1 N-ACYLHYDRAZONE DERIVATIVES FOR SELECTIVE T CELL INHIBITOR AND ANTI-LYMPHOID MALIGNANCY DRUG Chong Kun Dang Pharmaceutical Corp. (KR) 2015-07-08 EP disclosed
CN-104755460-A N-acylhydrazone derivatives for selective T cell inhibitor and anti-lymphoid malignancy drug CHONG KUN DANG PHARM CORP 2015-07-01 CN disclosed
WO-2014035149-A1 N-ACYLHYDRAZONE DERIVATIVES FOR SELECTIVE T CELL INHIBITOR AND ANTI-LYMPHOID MALIGNANCY DRUG CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2014-03-06 WO disclosed
WO-2014035149-A1 N-ACYLHYDRAZONE DERIVATIVES FOR SELECTIVE T CELL INHIBITOR AND ANTI-LYMPHOID MALIGNANCY DRUG CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2014-03-06 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 (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-20150252030-A1 N-ACYLHYDRAZONE DERIVATIVES FOR SELECTIVE T CELL INHIBITOR AND ANTI-LYMPHOID MALIGNANCY DRUG MALT1, MCL1, ACIN1 PTGS2 802/4885KMT2A 355/4885NPBWR1 2640/4885

“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.