SCHEMBL2589956

SCHEMBL2589956

COC(=O)c1cc(OC)c([N+](=O)[O-])cc1Cl

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.52
ALDH1A1 P00352 1/20 0.50
MAPT P10636 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
GAA P10253 1/20 0.48
KDM4E B2RXH2 2/20 0.46
HTT P42858 1/20 0.46
POLB P06746 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.44
NPC1 O15118 1/20 0.44
CYP3A4 P08684 1/20 0.44
PDGFRB P09619 1/20 0.44
FGFR1 P11362 1/20 0.44
PDGFRA P16234 1/20 0.44
FLT1 P17948 1/20 0.44
FGFR3 P22607 1/20 0.44
KDR P35968 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
SCHEMBL1787152 0.94 LMNA (0.52) LMNAALDH1A1MAPTTDP1MEN1
SCHEMBL31305210 0.87 PDGFRB (0.51) LMNAALDH1A1MAPTTDP1KDM4E
SCHEMBL358305 0.86 PKM (0.54) LMNAALDH1A1MAPTTDP1MEN1
SCHEMBL30180061 0.83 PDGFRB (0.58) LMNAALDH1A1TDP1MEN1KMT2A
SCHEMBL14993047 0.83 PDGFRB (0.58) LMNAALDH1A1TDP1MEN1KMT2A
SCHEMBL24100428 0.83 TDP1 (0.51) LMNAALDH1A1MAPTTDP1MEN1
SCHEMBL2903296 0.83 TDP1 (0.53) LMNAALDH1A1MAPTTDP1MEN1
SCHEMBL8902175 0.83 CHEK1 (0.51) LMNAALDH1A1TDP1MEN1KMT2A
SCHEMBL1786813 0.83 MEN1 (0.51) LMNAALDH1A1MAPTTDP1MEN1
SCHEMBL24099702 0.83 TDP1 (0.44) LMNAALDH1A1MAPTTDP1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118525018-A Bialkyne compound and application thereof 上海艾力斯医药科技股份有限公司 2024-08-20 CN disclosed
WO-2023116779-A1 DIALKYNE COMPOUND AND USE THEREOF 上海艾力斯医药科技股份有限公司 2023-06-29 WO disclosed
WO-2023116779-A1 DIALKYNE COMPOUND AND USE THEREOF 上海艾力斯医药科技股份有限公司 2023-06-29 WO disclosed
US-11180487-B2 Substituted cyanoindoline derivatives as NIK inhibitors JANSSEN PHARMACEUTICA NV (BE) 2021-11-23 US disclosed
US-20210087182-A1 NEW SUBSTITUTED CYANOINDOLINE DERIVATIVES AS NIK INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2021-03-25 US disclosed
WO-2017125530-A1 NEW SUBSTITUTED CYANOINDOLINE DERIVATIVES AS NIK INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2017-07-27 WO disclosed
US-8716287-B2 Pharmaceutical compounds SENTINEL ONCOLOGY LIMITED (GB) 2014-05-06 US disclosed
EP-2569290-A2 PHARMACEUTICAL COMPOUNDS Sentinel Oncology Limited (GB) 2013-03-20 EP disclosed
US-20130065900-A1 PHARMACEUTICAL COMPOUNDS SENTINEL ONCOLOGY LIMITED (GB) 2013-03-14 US disclosed
WO-2011141716-A2 PHARMACEUTICAL COMPOUNDS SENTINEL ONCOLOGY LIMITED (GB) 2011-11-17 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 (3 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-20130065900-A1 PHARMACEUTICAL COMPOUNDS CSNK1A1, FRK, CSNK1E LMNA 3049/4885ALDH1A1 3289/4885MAPT 1071/4885
US-20210087182-A1 NEW SUBSTITUTED CYANOINDOLINE DERIVATIVES AS NIK INHIBITORS NFKBIA, IKBKG, IKBKB LMNA 1687/4885ALDH1A1 4296/4885MAPT 3591/4885
US-11180487-B2 Substituted cyanoindoline derivatives as NIK inhibitors NFKBIA, MAP3K14, IKBKG LMNA 1906/4885ALDH1A1 4076/4885MAPT 3533/4885

“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.