SCHEMBL869876

SCHEMBL869876

Nc1nc(=O)c2nc(CN(N)c3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc3)cnc2[nH]1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHFR P00374 8/20 0.57
GART P22102 5/20 0.57
TYMS P04818 4/20 0.57
ATIC P31939 3/20 0.57
KDM4E B2RXH2 2/20 0.57
MEN1 O00255 2/20 0.57
ALDH1A1 P00352 2/20 0.57
POLB P06746 2/20 0.57
HPGD P15428 2/20 0.57
KMT2A Q03164 2/20 0.57
HSD17B10 Q99714 2/20 0.57
TDP1 Q9NUW8 2/20 0.57
GAA P10253 1/20 0.57
AKR1B1 P15121 1/20 0.57
TSHR P16473 1/20 0.57
PTGS2 P35354 1/20 0.57
TLR4 O00206 1/20 0.57
LMNA P02545 1/20 0.57
TP53 P04637 1/20 0.57
GLA P06280 1/20 0.57

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
SCHEMBL27560842 0.99 DHFR (0.56) DHFRGARTTYMSATICKDM4E
SCHEMBL338037 0.92 DHFR (0.57) DHFRGARTTYMSATICKDM4E
SCHEMBL20486467 0.91 DHFR (0.57) DHFRGARTTYMSATICKDM4E
SCHEMBL28344641 0.91 DHFR (0.57) DHFRGARTTYMSATICKDM4E
SCHEMBL28135233 0.91 DHFR (0.57) DHFRGARTTYMSATICKDM4E
SCHEMBL25167471 0.91 DHFR (0.57) DHFRGARTTYMSATICKDM4E
SCHEMBL16583122 0.91 DHFR (0.57) DHFRGARTTYMSATICKDM4E
SCHEMBL28697708 0.91 DHFR (0.55) DHFRGARTTYMSATICKDM4E
SCHEMBL3771709 0.91 DHFR (0.56) DHFRGARTTYMSATICKDM4E
SCHEMBL15530423 0.91 DHFR (0.56) DHFRGARTTYMSATICKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12458701-B2 Bis (hydroxy benzylidene) cyclic ketone based tetra-aza corand DESAI ARPITA (IN) 2025-11-04 US disclosed
US-20230226194-A1 NOVEL BIS (HYDROXY BENZYLIDENE) CYCLIC KETONE BASED TETRA-AZA CORAND DESAI ARPITA (IN) 2023-07-20 US disclosed
WO-2022074673-A1 NOVEL BIS (HYDROXY BENZYLIDENE) CYCLIC KETONE BASED TETRA-AZA CORAND DESAI DR ARPITA S (IN) 2022-04-14 WO disclosed
EP-2651411-B1 METHODS AND COMPOSITIONS FOR IMPROVED F-18 LABELING OF PROTEINS, PEPTIDES AND OTHER MOLECULES IMMUNOMEDICS INC (US) 2020-09-16 EP disclosed
EP-3242691-A1 RADIOSENSITIVITY OF FLUOROPHORES AND USE OF RADIOPROTECTIVE AGENTS FOR DUAL-MODALITY IMAGING Immunomedics, Inc. (US) 2017-11-15 EP disclosed
US-20170283442-A1 Methods and Compositions for Improved F-18 Labeling of Proteins, Peptides and Other Molecules IMMUNOMEDICS, INC. 2017-10-05 US disclosed
EP-3218015-A2 METHODS AND COMPOSITIONS FOR IMPROVED LABELING OF TARGETING PEPTIDES Immunomedics, Inc. (US) 2017-09-20 EP disclosed
CN-106344927-A Folic acid modified drug-loaded hydroxyapatite and preparation method thereof 大连理工大学 2017-01-25 CN disclosed
WO-2016111797-A1 RADIOSENSITIVITY OF FLUOROPHORES AND USE OF RADIOPROTECTIVE AGENTS FOR DUAL-MODALITY IMAGING IMMUNOMEDICS, INC. (US) 2016-07-14 WO disclosed
US-20160199524-A1 RADIOSENSITIVITY OF FLUOROPHORES AND USE OF RADIOPROTECTIVE AGENTS FOR DUAL-MODALITY IMAGING IMMUNOMEDICS, INC. 2016-07-14 US disclosed
US-20090299033-A1 Methods and Compositions for F-18 Labeling of Proteins, Peptides and Other Molecules IMMUNOMEDICS, INC. (US) 2009-12-03 US disclosed
WO-2009135015-A2 IMPROVED METHODS AND COMPOSITIONS FOR F-18 LABELING OF PROTEINS, PEPTIDES AND OTHER MOLECULES IMMUNOMEDICS, INC. (US) 2009-11-05 WO disclosed
US-20090246130-A1 Methods and Compositions for F-18 Labeling of Proteins, Peptides and Other Molecules IMMUNOMEDICS, INC. (US) 2009-10-01 US disclosed
US-7563433-B2 Use in positron emission tomography for example or tissue targeted therapy; forming a F18 metal complex, and attaching the F-18 metal complex to the molecule such as peptide or antibody; improved biological half life IMMUNOMEDICS, INC. (US) 2009-07-21 US disclosed
WO-2009079024-A1 IMPROVED METHODS AND COMPOSITIONS FOR F-18 LABELING OF PROTEINS, PEPTIDES AND OTHER MOLECULES IMMUNOMEDICS, INC. (US) 2009-06-25 WO disclosed
US-20090155166-A1 Methods and Compositions for F-18 Labeling of Proteins, Peptides and Other Molecules IMMUNOMEDICS, INC. (US) 2009-06-18 US disclosed
US-20080253964-A1 Methods and Compositions for F-18 Labeling of Proteins, Peptides and Other Molecules IMMUNOMEDICS, INC. (US) 2008-10-16 US disclosed
CN-101240024-A Single-chain antibody scFv of hBAFF and application thereof in producing BAFF human source monoclonal antibody UNIV NANJING NORMAL (CN) 2008-08-13 CN disclosed
EP-1940386-A2 WORTMANNIN CONJUGATES AND USES THEREOF Beth Israel Deaconess Medical Center (US) 2008-07-09 EP disclosed
WO-2007086943-A2 WORTMANNIN CONJUGATES AND USES THEREOF BETH ISRAEL DEACONESS MEDICAL CENTER (US) 2007-08-02 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 (6 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-12458701-B2 Bis (hydroxy benzylidene) cyclic ketone based tetra-aza corand HDAC6, TBCA, TBC1D15 DHFR 24/4885GART 4164/4885TYMS 412/4885
US-20160199524-A1 RADIOSENSITIVITY OF FLUOROPHORES AND USE OF RADIOPROTECTIVE AGENTS FOR DUAL-MODALITY IMAGING BRS3, BRCA1, MRE11 DHFR 3949/4885GART 3960/4885TYMS 4321/4885
US-20090246130-A1 Methods and Compositions for F-18 Labeling of Proteins, Peptides and Other Molecules F13B, TFRC, F13A1 DHFR 2587/4885GART 941/4885TYMS 4267/4885
US-20230226194-A1 NOVEL BIS (HYDROXY BENZYLIDENE) CYCLIC KETONE BASED TETRA-AZA CORAND HDAC6, TBCA, TBC1D15 DHFR 35/4885GART 4140/4885TYMS 394/4885
US-20090155166-A1 Methods and Compositions for F-18 Labeling of Proteins, Peptides and Other Molecules S100A8, TFRC, F13A1 DHFR 2661/4885GART 739/4885TYMS 3887/4885
US-20170283442-A1 Methods and Compositions for Improved F-18 Labeling of Proteins, Peptides and Other Molecules F13B, PAICS, MRPL19 DHFR 1018/4885GART 492/4885TYMS 2650/4885

“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.