SCHEMBL1645176

SCHEMBL1645176

CN(C)Cc1ccccc1Sc1ccc(CO)cc1[N+](=O)[O-]

nearest known ligand 0.65

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 17/20 0.65
SLC6A2 P23975 13/20 0.65
SLC6A3 Q01959 4/20 0.65
ALDH1A1 P00352 1/20 0.56
MAPT P10636 1/20 0.56
TDP1 Q9NUW8 1/20 0.46

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
SCHEMBL1644432 0.89 SLC6A4 (0.67) SLC6A4SLC6A2SLC6A3ALDH1A1MAPT
SCHEMBL1645157 0.88 SLC6A4 (0.64) SLC6A4SLC6A2SLC6A3TDP1
SCHEMBL1644194 0.88 SLC6A4 (0.65) SLC6A4SLC6A2SLC6A3TDP1
SCHEMBL1645804 0.86 SLC6A4 (0.66) SLC6A4SLC6A2SLC6A3TDP1
SCHEMBL1644224 0.84 SLC6A4 (0.67) SLC6A4SLC6A2SLC6A3TDP1
SCHEMBL1645487 0.84 SLC6A4 (0.64) SLC6A4SLC6A2SLC6A3MAPTTDP1
SCHEMBL1644437 0.84 SLC6A4 (0.64) SLC6A4SLC6A2SLC6A3TDP1
SCHEMBL1644198 0.83 SLC6A4 (0.65) SLC6A4SLC6A2SLC6A3ALDH1A1MAPT
SCHEMBL1644221 0.83 SLC6A4 (0.69) SLC6A4SLC6A2SLC6A3TDP1
SCHEMBL5833101 0.83 SLC6A4 (0.63) SLC6A4SLC6A2SLC6A3TDP1

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.