SCHEMBL1645487

SCHEMBL1645487

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

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 7/20 0.64
TXNRD1 Q16881 1/20 0.61
TXNRD3 Q86VQ6 1/20 0.61
TXNRD2 Q9NNW7 1/20 0.61
FAAH O00519 2/20 0.52
MGLL Q99685 2/20 0.52
MAPT P10636 5/20 0.51
NPSR1 Q6W5P4 2/20 0.51
GAA P10253 1/20 0.51
HTT P42858 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
MEN1 O00255 1/20 0.50
PSMD14 O00487 1/20 0.50
RAB9A P51151 1/20 0.50
KMT2A Q03164 1/20 0.50
MITF O75030 1/20 0.49
SLC6A2 P23975 4/20 0.49
SLC6A3 Q01959 3/20 0.49
LMNA P02545 2/20 0.49

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
SCHEMBL1644437 0.87 SLC6A4 (0.64) SLC6A4TDP1SLC6A2SLC6A3LMNA
SCHEMBL1644221 0.86 SLC6A4 (0.69) SLC6A4TDP1SLC6A2SLC6A3LMNA
SCHEMBL5833101 0.86 SLC6A4 (0.63) SLC6A4TDP1SLC6A2SLC6A3LMNA
SCHEMBL236212 0.86 SLC6A4 (0.64) SLC6A4TDP1SLC6A2SLC6A3LMNA
SCHEMBL1644194 0.84 SLC6A4 (0.65) SLC6A4TDP1SLC6A2SLC6A3LMNA
SCHEMBL1645157 0.84 SLC6A4 (0.64) SLC6A4TDP1SLC6A2SLC6A3LMNA
SCHEMBL1645176 0.84 SLC6A4 (0.65) SLC6A4MAPTTDP1SLC6A2SLC6A3
SCHEMBL1645804 0.82 SLC6A4 (0.66) SLC6A4TDP1SLC6A2SLC6A3LMNA
SCHEMBL1644224 0.80 SLC6A4 (0.67) SLC6A4TDP1SLC6A2SLC6A3LMNA
SCHEMBL1644432 0.80 SLC6A4 (0.67) SLC6A4MAPTTDP1SLC6A2SLC6A3

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 7 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
US-7041851-B2 Fluorinated phenyl thiophenyl derivatives and their use for imaging serotonin transporters THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2006-05-09 US 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
US-20030236234-A1 Fluorinated phenyl thiophenyl derivatives and their use for imaging serotonin transporters NATIONAL INSTITUTES OF HEALTH-DIRECTOR DEITR 2003-12-25 US 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
WO-2003078393-A2 FLUORINATED PHENYL THIOPHENYL DERIVATIVES AND THEIR USE FOR IMAGING SEROTONIN TRANSPORTERS THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2003-09-25 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 (2 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-20030236234-A1 Fluorinated phenyl thiophenyl derivatives and their use for imaging serotonin transporters SLC6A4, SLCO4C1, SLC6A2 SLC6A4 1/4885TXNRD1 1619/4885TXNRD3 1947/4885
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 1/4885TXNRD1 2389/4885TXNRD3 2940/4885

“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.