SCHEMBL1104745

SCHEMBL1104745

COCCOCCOC(=O)Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.53
BCL9 O00512 1/20 0.50
CTNNB1 P35222 1/20 0.50
MAPT P10636 5/20 0.49
GAA P10253 1/20 0.49
SMN1; SMN2 Q16637 3/20 0.46
ALDH1A1 P00352 3/20 0.46
LMNA P02545 2/20 0.46
TP53 P04637 1/20 0.46
CYP3A4 P08684 1/20 0.46
THRB P10828 1/20 0.46
MAPK1 P28482 1/20 0.46
HSD17B10 Q99714 1/20 0.46
MGLL Q99685 2/20 0.45
RAB9A P51151 2/20 0.44
KMT2A Q03164 2/20 0.44
NPC1 O15118 1/20 0.44
PKM P14618 1/20 0.43
CRHBP P24387 1/20 0.42
CRHR2 Q13324 1/20 0.42

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
SCHEMBL40213 1.00 HTR2A (0.53) HTR2ABCL9CTNNB1MAPTGAA
SCHEMBL23044637 1.00 HTR2A (0.53) HTR2ABCL9CTNNB1MAPTGAA
SCHEMBL12082016 1.00 HTR2A (0.53) HTR2ABCL9CTNNB1MAPTGAA
SCHEMBL30233044 1.00 HTR2A (0.53) HTR2ABCL9CTNNB1MAPTGAA
SCHEMBL409084 0.96 HTR2A (0.56) HTR2ABCL9CTNNB1MAPTGAA
SCHEMBL125510 0.93 HTR2A (0.56) HTR2ABCL9CTNNB1MAPTGAA
SCHEMBL10062010 0.93 HTR2A (0.56) HTR2ABCL9CTNNB1MAPTGAA
SCHEMBL30232973 0.89 BCL9 (0.57) HTR2ABCL9CTNNB1MAPTGAA
SCHEMBL916518 0.89 BCL9 (0.57) HTR2ABCL9CTNNB1MAPTGAA
SCHEMBL409598 0.88 HTR2A (0.59) HTR2ABCL9CTNNB1MAPTGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12637441-B2 Prodrugs of the tyrosine kinase inhibitor for treating cancer Risen (Suzhou) Pharma Tech Co., Ltd. (CN) 2026-05-26 US disclosed
US-20230381303-A1 Lipid Nanoparticles for Delivery of Nucleic Acids and Methods of Use Thereof AKAGERA MEDICINES, INC. (US) 2023-11-30 US disclosed
CN-112442011-B Prodrug compound and application thereof in treating cancers 润佳(苏州)医药科技有限公司 2023-11-14 CN disclosed
EP-4021912-A1 PRODRUGS OF THE TYROSINE KINASE INHIBITOR FOR TREATING CANCER Risen (Suzhou) Pharma Tech Co., Ltd. (CN) 2022-07-06 EP disclosed
US-20210078970-A1 PRODRUGS OF THE TYROSINE KINASE INHIBITOR FOR TREATING CANCER Risen (Suzhou) Pharma Tech Co., Ltd. (CN) 2021-03-18 US disclosed
WO-2021035360-A1 PRODRUGS OF THE TYROSINE KINASE INHIBITOR FOR TREATING CANCER Risen (Suzhou) Pharma Tech Co., Ltd. (CN) 2021-03-04 WO disclosed
US-9999673-B2 PEGylated lipids and their use for drug delivery ALNYLAM PHARMACEUTICALS, INC. (US) 2018-06-19 US disclosed
US-9951183-B2 Amphiphilic blockcopolymers comprising reduction sensitive biodegradable polyesteramides DSM IP ASSETS, B.V. (NL) 2018-04-24 US disclosed
US-20170281785-A1 GLYCEROL LINKED PEGYLATED SUGARS AND GLYCOPEPTIDES NOVO NORDISK A/S (DK) 2017-10-05 US disclosed
US-20170218123-A1 AMPHIPHILIC BLOCKCOPOLYMERS COMPRISING REDUCTION SENSITIVE BIODEGRADABLE POLYESTERAMIDES DSM IP ASSETS, B.V. (NL) 2017-08-03 US disclosed
US-20070014759-A1 Glycopegylated granulocyte colony stimulating factor NEOSE TECHNOLOGIES, INC. (US) 2007-01-18 US disclosed
US-20070014759-A1 Glycopegylated granulocyte colony stimulating factor NEOSE TECHNOLOGIES, INC. (US) 2007-01-18 US disclosed
US-5907068-A TRIFLUOROMETHYLSUBSTITUTED COMPOUND INCLUDED IN PEPTIDES ZENECA INC. (US) 1999-05-25 US disclosed
US-5726158-A INHIBITORS OF HUMAN LEUKOCYTE ELASTASE USEFUL IN TREATING TISSUE DEGENERATIVE DISEASES; TRIFLUOROMETHYL KETONE SUBSTITUTED DI-, TRI-, AND TETRA-PEPTIDE DERIVATIVES ZENECA INC. (US) 1998-03-10 US disclosed
US-5414132-A Peptide intermediates ZENECA INC. (US) 1995-05-09 US disclosed
US-5194588-A Inhibitors of human leukocyte elastase, di-, tri- and tetra-peptides ICI AMERICAS INC. (US) 1993-03-16 US disclosed
EP-0189305-B1 PEPTIDE DERIVATIVES ICI AMERICAS INC. (US) 1992-07-29 EP disclosed
US-5055450-A Di-, tri- and tetrapeptides as inhibitors of human leukocyte elastase ICI AMERICAS INC. (US) 1991-10-08 US disclosed
US-4910190-A Containing a nitrogen containing heterocycle ring structure ICI AMERICAS INC. (US) 1990-03-20 US disclosed
EP-0189305-A2 Peptide derivatives ICI AMERICAS INC. (US) 1986-07-30 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 (5 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-20210078970-A1 PRODRUGS OF THE TYROSINE KINASE INHIBITOR FOR TREATING CANCER ABL1, FLT3, SRC HTR2A 4073/4885BCL9 849/4885CTNNB1 3582/4885
US-20230381303-A1 Lipid Nanoparticles for Delivery of Nucleic Acids and Methods of Use Thereof PHOSPHO1, PTDSS1, PTDSS2 HTR2A 4424/4885BCL9 2662/4885CTNNB1 4715/4885
US-12637441-B2 Prodrugs of the tyrosine kinase inhibitor for treating cancer EGFR, ERBB2, MET HTR2A 4308/4885BCL9 361/4885CTNNB1 1180/4885
US-20070014759-A1 Glycopegylated granulocyte colony stimulating factor CSF3R, GMFG, GALNT1 HTR2A 4836/4885BCL9 1798/4885CTNNB1 4874/4885
US-20170281785-A1 GLYCEROL LINKED PEGYLATED SUGARS AND GLYCOPEPTIDES UGCG, B3GAT3, UGGT1 HTR2A 4652/4885BCL9 2105/4885CTNNB1 4803/4885

“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.