SCHEMBL869875

SCHEMBL869875

Nc1nc2ncc(CNc3ccc(C(=O)NC(CC(N)C(=O)O)C(=O)O)cc3)nc2c(=O)[nH]1

nearest known ligand 0.79

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ AKR1B1 P15121 5/20 0.79
▸ TYMS P04818 3/20 0.79
▸ KDM4E B2RXH2 1/20 0.79
▸ MEN1 O00255 1/20 0.79
▸ ALDH1A1 P00352 1/20 0.79
▸ POLB P06746 1/20 0.79
▸ GAA P10253 1/20 0.79
▸ HPGD P15428 1/20 0.79
▸ TSHR P16473 1/20 0.79
▸ PTGS2 P35354 1/20 0.79
▸ KMT2A Q03164 1/20 0.79
▸ HSD17B10 Q99714 1/20 0.79
▸ TDP1 Q9NUW8 1/20 0.79
▸ ADORA3 P0DMS8 1/20 0.57
▸ DHFR P00374 5/20 0.55
▸ GART P22102 2/20 0.52
▸ ATIC P31939 1/20 0.52
▸ NOS1 P29475 1/20 0.45

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
SCHEMBL29423667 1.00 AKR1B1 (0.79) AKR1B1TYMSKDM4EMEN1ALDH1A1
SCHEMBL15094347 0.93 AKR1B1 (0.81) AKR1B1TYMSKDM4EMEN1ALDH1A1
SCHEMBL30174303 0.93 AKR1B1 (0.81) AKR1B1TYMSKDM4EMEN1ALDH1A1
SCHEMBL28226859 0.92 AKR1B1 (0.80) AKR1B1TYMSKDM4EMEN1ALDH1A1
SCHEMBL11897941 0.91 AKR1B1 (0.79) AKR1B1TYMSKDM4EMEN1ALDH1A1
SCHEMBL30634933 0.91 AKR1B1 (0.79) AKR1B1TYMSKDM4EMEN1ALDH1A1
SCHEMBL6679712 0.91 AKR1B1 (0.77) AKR1B1TYMSKDM4EMEN1ALDH1A1
SCHEMBL14323639 0.91 AKR1B1 (0.77) AKR1B1TYMSKDM4EMEN1ALDH1A1
SCHEMBL15530422 0.91 AKR1B1 (0.77) AKR1B1TYMSKDM4EMEN1ALDH1A1
SCHEMBL8044594 0.91 AKR1B1 (0.77) AKR1B1TYMSKDM4EMEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109432451-A A kind of preparation method for extra small double targeting bimodal magnetic resonance contrast agents that kidney is removed 南京大学 2019-03-08 — — CN claimed
US-12458701-B2 Bis (hydroxy benzylidene) cyclic ketone based tetra-aza corand DESAI ARPITA (IN) 2025-11-04 — — US disclosed
EP-3352796-B1 DRUG FORMULATION BASED ON PARTICULATES COMPRISING POLYSACCHARIDE-VITAMIN CONJUGATE U S TIANYOU CAPITAL CORP (US) 2025-03-05 — — EP disclosed
CN-119455006-A Targeting drug-loaded nano-particle with multiple responsivity and preparation method thereof 四川大学华西医院 2025-02-18 — — CN disclosed
CN-117321078-A Administration for combination therapy with anti-CD 20/anti-CD 3 bispecific antibody and anti-CD 79B antibody drug conjugates 豪夫迈·罗氏有限公司 2023-12-29 — — CN disclosed
CN-116462705-A Folic acid phosphating derivative and preparation method and application thereof 浙江圣达生物药业股份有限公司 2023-07-21 — — CN 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
CN-108135917-B Pharmaceutical formulations based on particles comprising polysaccharide-vitamin conjugates ZY医疗 2021-07-09 — — CN disclosed
US-10994024-B2 Drug formulation based on particulates comprising polysaccharide-vitamin conjugate ZY Therapeutics, Inc. (US) 2021-05-04 — — US disclosed
US-20110110854-A1 Methods and Compositions for Improved F-18 Labeling of Proteins, Peptides and Other Molecules IMMUNOMEDICS, INC. (US) 2011-05-12 — — US disclosed
EP-2291678-A2 IMPROVED METHODS AND COMPOSITIONS FOR F-18 LABELING OF PROTEINS, PEPTIDES AND OTHER MOLECULES Immunomedics, Inc. (US) 2011-03-09 — — EP disclosed
EP-2200657-A1 IMPROVED METHODS AND COMPOSITIONS FOR F-18 LABELING OF PROTEINS, PEPTIDES AND OTHER MOLECULES Immunomedics, Inc. (US) 2010-06-30 — — EP 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

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-10994024-B2 Drug formulation based on particulates comprising polysaccharide-vitamin conjugate FOLR1, FOLR2, CD44 AKR1B1 2751/4885TYMS 71/4885KDM4E 3468/4885
US-12458701-B2 Bis (hydroxy benzylidene) cyclic ketone based tetra-aza corand HDAC6, TBCA, TBC1D15 AKR1B1 85/4885TYMS 412/4885KDM4E 239/4885
US-20110110854-A1 Methods and Compositions for Improved F-18 Labeling of Proteins, Peptides and Other Molecules F13B, F13A1, FCGRT AKR1B1 4102/4885TYMS 3955/4885KDM4E 3547/4885
US-20090246130-A1 Methods and Compositions for F-18 Labeling of Proteins, Peptides and Other Molecules F13B, TFRC, F13A1 AKR1B1 4250/4885TYMS 4267/4885KDM4E 3900/4885
US-20230226194-A1 NOVEL BIS (HYDROXY BENZYLIDENE) CYCLIC KETONE BASED TETRA-AZA CORAND HDAC6, TBCA, TBC1D15 AKR1B1 91/4885TYMS 394/4885KDM4E 239/4885
US-20090155166-A1 Methods and Compositions for F-18 Labeling of Proteins, Peptides and Other Molecules S100A8, TFRC, F13A1 AKR1B1 4393/4885TYMS 3887/4885KDM4E 4210/4885

“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.

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