SCHEMBL9612244

SCHEMBL9612244

O=C(O)CN1CCN(CC(=O)O)CCN(Cc2ccc(CC(=O)NCCN3C(=O)C=CC3=O)cc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.47
GAA P10253 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
ALDH1A1 P00352 3/20 0.47
ACHE P22303 4/20 0.43
FAAH O00519 3/20 0.43
POLB P06746 1/20 0.43
TSHR P16473 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CHRM4 P08173 1/20 0.42
CYP2D6 P10635 1/20 0.42
BCHE P06276 2/20 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
SCHEMBL17586498 0.96 KMT2A (0.44) KMT2AGAASMN1; SMN2ALDH1A1ACHE
SCHEMBL9972165 0.95 KMT2A (0.43) KMT2AGAASMN1; SMN2ALDH1A1ACHE
SCHEMBL16526510 0.93 KMT2A (0.42) KMT2AGAASMN1; SMN2ALDH1A1ACHE
SCHEMBL17029296 0.93 KMT2A (0.42) KMT2AGAASMN1; SMN2ALDH1A1ACHE
SCHEMBL16356426 0.92 GAA (0.46) KMT2AGAASMN1; SMN2ALDH1A1POLB
SCHEMBL15290261 0.86 HDAC1 (0.48) KMT2AALDH1A1ACHECYP2D6
SCHEMBL9612258 0.84 AKT1 (0.43) KMT2AGAASMN1; SMN2ALDH1A1ACHE
SCHEMBL1064815 0.84 ALDH1A1 (0.44) KMT2AGAASMN1; SMN2ALDH1A1TSHR
SCHEMBL15362875 0.84 ALDH1A1 (0.44) KMT2AGAASMN1; SMN2ALDH1A1TSHR
SCHEMBL22421442 0.83 KMT2A (0.43) KMT2AGAASMN1; SMN2ALDH1A1ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220031870-A1 METAL COMPLEXES AND FLUORINATION THEREOF UNIVERSITY OF SOUTHAMPTON (GB) 2022-02-03 US disclosed
US-11135322-B2 Radiofluorination method GE HEALTHCARE LIMITED (GB) 2021-10-05 US 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
US-20170283442-A1 Methods and Compositions for Improved F-18 Labeling of Proteins, Peptides and Other Molecules IMMUNOMEDICS, INC. 2017-10-05 US disclosed
US-20160199524-A1 RADIOSENSITIVITY OF FLUOROPHORES AND USE OF RADIOPROTECTIVE AGENTS FOR DUAL-MODALITY IMAGING IMMUNOMEDICS, INC. 2016-07-14 US disclosed
US-20160082136-A1 METAL COMPLEXES AND FLUORINATION THEREOF UNIVERSITY OF SOUTHAMPTON (GB) 2016-03-24 US disclosed
US-20150307524-A1 Methods and Compositions for Improved F-18 Labeling of Proteins, Peptides and Other Molecules IMMUNOMEDICS, INC. 2015-10-29 US disclosed
US-9115172-B2 Methods and compositions for improved F-18 labeling of proteins, peptides and other molecules IMMUNOMEDICS, INC. (US) 2015-08-25 US disclosed
US-9028800-B2 Methods and compositions for improved F-18 labeling of proteins, peptides and other molecules IMMUNOMEDICS, INC. (US) 2015-05-12 US disclosed
US-20150057432-A1 Methods and Compositions for Improved F-18 Labeling of Proteins, Peptides and Other Molecules IMMUNOMEDICS, INC. 2015-02-26 US disclosed
US-20140017168-A1 Methods and Compositions for Improved F-18 Labeling of Proteins, Peptides and Other Molecules IMMUNOMEDICS, INC. (US) 2014-01-16 US disclosed
US-8545809-B2 Methods and compositions for improved 18F labeling of proteins, peptides and other molecules IMMUNOMEDICS, INC. (US) 2013-10-01 US disclosed
US-20130211044-A1 Methods and Compositions for Improved F-18 Labeling of Proteins, Peptides and Other Molecules IMMUNOMEDICS, INC. (US) 2013-08-15 US disclosed
US-8496912-B2 In vivo copper-free click chemistry for delivery of therapeutic and/or diagnostic agents IMMUNOMEDICS, INC. (US) 2013-07-30 US disclosed
US-20130171065-A1 In Vivo Copper-Free Click Chemistry for Delivery of Therapeutic and/or Diagnostic Agents IMMUNOMEDICS, INC. (US) 2013-07-04 US disclosed
US-8398956-B2 In vivo copper-free click chemistry for delivery of therapeutic and/or diagnostic agents IMMUNOMEDICS, INC. (US) 2013-03-19 US disclosed
US-20120282178-A1 Methods and Compositions for Improved F-18 Labeling of Proteins, Peptides and Other Molecules IMMUNOMEDICS, INC. (US) 2012-11-08 US disclosed
US-8202509-B2 Methods and compositions for improved F-18 labeling of proteins, peptides and other molecules IMMUNOMEDICS, INC. (US) 2012-06-19 US disclosed
US-20120134920-A1 Methods and Compositions for Improved F-18 Labeling of Proteins, Peptides and Other Molecules IMMUNOMEDICS, INC. (US) 2012-05-31 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (13 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-11135322-B2 Radiofluorination method TFRC, AFF1, AFF2 KMT2A 2464/4885GAA 813/4885SMN1; SMN2 4161/4885
US-20150057432-A1 Methods and Compositions for Improved F-18 Labeling of Proteins, Peptides and Other Molecules F13B, PAICS, MRPL19 KMT2A 2972/4885GAA 620/4885SMN1; SMN2 1370/4885
US-20110110854-A1 Methods and Compositions for Improved F-18 Labeling of Proteins, Peptides and Other Molecules F13B, F13A1, FCGRT KMT2A 2153/4885GAA 302/4885SMN1; SMN2 2037/4885
US-20160199524-A1 RADIOSENSITIVITY OF FLUOROPHORES AND USE OF RADIOPROTECTIVE AGENTS FOR DUAL-MODALITY IMAGING BRS3, BRCA1, MRE11 KMT2A 3986/4885GAA 3845/4885SMN1; SMN2 2051/4885
US-20120134920-A1 Methods and Compositions for Improved F-18 Labeling of Proteins, Peptides and Other Molecules F13B, FCGRT, PAICS KMT2A 2486/4885GAA 654/4885SMN1; SMN2 1351/4885
US-20120282178-A1 Methods and Compositions for Improved F-18 Labeling of Proteins, Peptides and Other Molecules F13B, F13A1, FCGRT KMT2A 2153/4885GAA 302/4885SMN1; SMN2 2037/4885
US-20130211044-A1 Methods and Compositions for Improved F-18 Labeling of Proteins, Peptides and Other Molecules F13B, F13A1, FCGRT KMT2A 2153/4885GAA 302/4885SMN1; SMN2 2037/4885
US-20140017168-A1 Methods and Compositions for Improved F-18 Labeling of Proteins, Peptides and Other Molecules F13B, FCGRT, PAICS KMT2A 2486/4885GAA 654/4885SMN1; SMN2 1351/4885
US-20150307524-A1 Methods and Compositions for Improved F-18 Labeling of Proteins, Peptides and Other Molecules F13B, PAICS, MRPL19 KMT2A 2972/4885GAA 620/4885SMN1; SMN2 1370/4885
US-20220031870-A1 METAL COMPLEXES AND FLUORINATION THEREOF FOS, FGB, FOSB KMT2A 1672/4885GAA 2027/4885SMN1; SMN2 1614/4885
US-20130171065-A1 In Vivo Copper-Free Click Chemistry for Delivery of Therapeutic and/or Diagnostic Agents TIE1, C9, NCLN KMT2A 3209/4885GAA 1657/4885SMN1; SMN2 1158/4885
US-20160082136-A1 METAL COMPLEXES AND FLUORINATION THEREOF FOS, FGB, FOSB KMT2A 1784/4885GAA 2075/4885SMN1; SMN2 1557/4885
US-20170283442-A1 Methods and Compositions for Improved F-18 Labeling of Proteins, Peptides and Other Molecules F13B, PAICS, MRPL19 KMT2A 2972/4885GAA 620/4885SMN1; SMN2 1370/4885

“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.