SCHEMBL1644238

SCHEMBL1644238

CNC(=O)c1ccccc1Sc1ccc(F)cc1[N+](=O)[O-]

nearest known ligand 0.76

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 3/20 0.76
SLC6A2 P23975 2/20 0.76
SLC6A3 Q01959 2/20 0.76
KCNMA1 Q12791 1/20 0.49
PDE7A Q13946 1/20 0.48
LMNA P02545 4/20 0.47
KDM4E B2RXH2 1/20 0.47
MAPT P10636 7/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
POLB P06746 1/20 0.46
GAA P10253 2/20 0.45
ALDH1A1 P00352 1/20 0.44
HTT P42858 2/20 0.44

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
SCHEMBL1645802 0.86 SLC6A4 (1.00) SLC6A4SLC6A2SLC6A3KCNMA1LMNA
SCHEMBL1645800 0.85 MAPT (0.60) SLC6A4SLC6A2SLC6A3KCNMA1PDE7A
SCHEMBL1645187 0.83 SLC6A4 (0.64) SLC6A4SLC6A2SLC6A3KCNMA1PDE7A
SCHEMBL1643396 0.81 SLC6A4 (0.69) SLC6A4SLC6A2SLC6A3LMNAKDM4E
SCHEMBL1643871 0.80 SLC6A4 (0.67) SLC6A4SLC6A2SLC6A3LMNAKDM4E
SCHEMBL1668405 0.79 L3MBTL1 (0.54) SLC6A4SLC6A2SLC6A3KCNMA1LMNA
SCHEMBL1644242 0.77 PDE7A (0.49) SLC6A4SLC6A2SLC6A3PDE7ALMNA
SCHEMBL691635 0.76 TDP1 (0.51) SLC6A4SLC6A2SLC6A3KCNMA1LMNA
SCHEMBL28230888 0.76 SLC6A4 (0.53) SLC6A4SLC6A2SLC6A3KCNMA1PDE7A
SCHEMBL5980751 0.75 PDE7A (0.56) SLC6A4SLC6A2SLC6A3PDE7ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110097274-A1 Carbon-11 and fluorine-18 labeled radioligands for positron emission tomography (PET) imaging for the brain serotonin transporters NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2011-04-28 US disclosed
EP-1519917-A4 CARBON-11 AND FLUORINE-18 LABELED RADIOLIGANDS FOR POSITRON EMISSION TOMOGRAPHY (PET) IMAGING FOR THE BRAIN SEROTONIN TRANSPORTERS UNIV COLUMBIA (US) 2006-05-17 EP disclosed
EP-1519917-A2 CARBON-11 AND FLUORINE-18 LABELED RADIOLIGANDS FOR POSITRON EMISSION TOMOGRAPHY (PET) IMAGING FOR THE BRAIN SEROTONIN TRANSPORTERS THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2005-04-06 EP disclosed
WO-2003096978-A2 CARBON-11 AND FLUORINE-18 LABELED RADIOLIGANDS FOR POSITRON EMISSION TOMOGRAPHY (PET) IMAGING FOR THE BRAIN SEROTONIN TRANSPORTERS THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2003-11-27 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 (1 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-20110097274-A1 Carbon-11 and fluorine-18 labeled radioligands for positron emission tomography (PET) imaging for the brain serotonin transporters SLC6A4, SLC18A2, SLC6A2 SLC6A4 1/4885SLC6A2 3/4885SLC6A3 6/4885

“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.