SCHEMBL9612255

SCHEMBL9612255

O=C(O)CN1CCN(CC(=O)O)CCN(CC(=O)NC(Cc2ccc([N+](=O)[O-])cc2)C(=O)O)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 1/20 0.51
▸ ALDH1A1 P00352 1/20 0.49
▸ FOLH1 Q04609 2/20 0.48
▸ LMNA P02545 1/20 0.48
▸ ITGB3 P05106 1/20 0.45
▸ ITGA2B P08514 1/20 0.45
▸ KDM4E B2RXH2 1/20 0.45
▸ NPC1 O15118 1/20 0.45
▸ NR2F2 P24468 1/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ CYP1A2 P05177 1/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ RECQL P46063 1/20 0.43

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
SCHEMBL13062232 0.79 LMNA (0.47) CA2ALDH1A1LMNAKDM4ENPC1
SCHEMBL22285567 0.79 CA2 (0.58) CA2ALDH1A1LMNAITGB3ITGA2B
SCHEMBL22285568 0.79 CA2 (0.58) CA2ALDH1A1LMNAITGB3ITGA2B
SCHEMBL8930758 0.77 SIGMAR1 (0.51) ALDH1A1LMNAKDM4ENPC1NR2F2
SCHEMBL16364782 0.77 TSHR (0.53) ALDH1A1LMNAKDM4ENPC1RAB9A
SCHEMBL4582800 0.77 TSHR (0.53) ALDH1A1LMNAKDM4ENPC1RAB9A
SCHEMBL9610816 0.77 KDM4E (0.65) ALDH1A1LMNAKDM4ENPC1NR2F2
SCHEMBL8034304 0.77 KDM4E (0.65) ALDH1A1LMNAKDM4ENPC1NR2F2
SCHEMBL18569386 0.77 CA2 (0.56) CA2ALDH1A1LMNAITGB3ITGA2B
SCHEMBL463473 0.76 LMNA (0.44) ALDH1A1LMNAKDM4ENPC1NR2F2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-20140377177-A1 Methods and Compositions for Improved F-18 Labeling of Proteins, Peptides and Other Molecules IMMUNOMEDICS, INC. 2014-12-25 — — US disclosed
US-8889100-B2 Methods and compositions for improved F-18 labeling of proteins, peptides and other molecules IMMUNOMEDICS, INC. (US) 2014-11-18 — — US disclosed
US-20140228541-A1 Methods and Compositions for Improved F-18 Labeling of Proteins, Peptides and Other Molecules IMMUNOMEDICS, INC. (US) 2014-08-14 — — US disclosed
US-8758726-B2 Methods and compositions for improved F-18 labeling of proteins, peptides and other molecules IMMUNOMEDICS, INC. (US) 2014-06-24 — — US disclosed
US-8709382-B2 Methods and compositions for improved F-18 labeling of proteins, peptides and other molecules IMMUNOMEDICS, INC. (US) 2014-04-29 — — 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-20120134920-A1 Methods and Compositions for Improved F-18 Labeling of Proteins, Peptides and Other Molecules IMMUNOMEDICS, INC. (US) 2012-05-31 — — 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 (8 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-20150057432-A1 Methods and Compositions for Improved F-18 Labeling of Proteins, Peptides and Other Molecules F13B, PAICS, MRPL19 CA2 251/4885ALDH1A1 4430/4885FOLH1 76/4885
US-20160199524-A1 RADIOSENSITIVITY OF FLUOROPHORES AND USE OF RADIOPROTECTIVE AGENTS FOR DUAL-MODALITY IMAGING BRS3, BRCA1, MRE11 CA2 1542/4885ALDH1A1 3300/4885FOLH1 614/4885
US-20120134920-A1 Methods and Compositions for Improved F-18 Labeling of Proteins, Peptides and Other Molecules F13B, FCGRT, PAICS CA2 684/4885ALDH1A1 4559/4885FOLH1 84/4885
US-20140228541-A1 Methods and Compositions for Improved F-18 Labeling of Proteins, Peptides and Other Molecules F13B, PAICS, MRPL19 CA2 251/4885ALDH1A1 4430/4885FOLH1 76/4885
US-20140017168-A1 Methods and Compositions for Improved F-18 Labeling of Proteins, Peptides and Other Molecules F13B, FCGRT, PAICS CA2 684/4885ALDH1A1 4559/4885FOLH1 84/4885
US-20150307524-A1 Methods and Compositions for Improved F-18 Labeling of Proteins, Peptides and Other Molecules F13B, PAICS, MRPL19 CA2 251/4885ALDH1A1 4430/4885FOLH1 76/4885
US-20140377177-A1 Methods and Compositions for Improved F-18 Labeling of Proteins, Peptides and Other Molecules F13B, FCGRT, PAICS CA2 684/4885ALDH1A1 4559/4885FOLH1 84/4885
US-20170283442-A1 Methods and Compositions for Improved F-18 Labeling of Proteins, Peptides and Other Molecules F13B, PAICS, MRPL19 CA2 251/4885ALDH1A1 4430/4885FOLH1 76/4885

“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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