SCHEMBL1643871

SCHEMBL1643871

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

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 3/20 0.67
SLC6A2 P23975 2/20 0.67
SLC6A3 Q01959 2/20 0.67
MAPT P10636 9/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
POLB P06746 1/20 0.44
LMNA P02545 3/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 3/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HTT P42858 1/20 0.42
HPGD P15428 1/20 0.41
GAA P10253 1/20 0.40
ITGB2 P05107 1/20 0.40
ICAM1 P05362 1/20 0.40
ITGAL P20701 1/20 0.40
THRB P10828 1/20 0.40

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
SCHEMBL1643398 0.89 SLC6A4 (0.52) SLC6A4SLC6A2SLC6A3MAPTL3MBTL1
SCHEMBL1645268 0.86 SLC6A4 (0.56) SLC6A4SLC6A2SLC6A3MAPTL3MBTL1
SCHEMBL1643396 0.84 SLC6A4 (0.69) SLC6A4SLC6A2SLC6A3MAPTL3MBTL1
SCHEMBL1645802 0.81 SLC6A4 (1.00) SLC6A4SLC6A2SLC6A3MAPTL3MBTL1
SCHEMBL1644238 0.80 SLC6A4 (0.76) SLC6A4SLC6A2SLC6A3MAPTL3MBTL1
SCHEMBL3838973 0.75 SLC6A4 (0.56) SLC6A4SLC6A2SLC6A3MAPTL3MBTL1
SCHEMBL1643391 0.74 SLC6A2 (0.55) SLC6A4SLC6A2SLC6A3MAPTL3MBTL1
SCHEMBL27715897 0.73 CYP3A4 (0.49) MAPTPOLBLMNAKDM4EALDH1A1
SCHEMBL8517915 0.73 MAPT (0.51) MAPTL3MBTL1LMNAALDH1A1SMN1; SMN2
SCHEMBL1644246 0.72 SLC6A2 (0.53) SLC6A4SLC6A2SLC6A3MAPTL3MBTL1

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.