SCHEMBL1644246

SCHEMBL1644246

COC(=O)CCc1ccc(Sc2ccccc2C(=O)O)c([N+](=O)[O-])c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.53
SLC6A4 P31645 2/20 0.53
SLC6A3 Q01959 2/20 0.53
KDM4E B2RXH2 3/20 0.47
LMNA P02545 2/20 0.47
GSTP1 P09211 1/20 0.47
GSTM2 P28161 1/20 0.47
MAPT P10636 7/20 0.47
HTT P42858 2/20 0.47
POLB P06746 2/20 0.42
BCL2L1 Q07817 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
ALDH1A1 P00352 2/20 0.42
GAA P10253 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
PTPN1 P18031 1/20 0.41
FNTA P49354 1/20 0.41
FNTB P49356 1/20 0.41
AKR1C3 P42330 2/20 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
SCHEMBL1643391 0.89 SLC6A2 (0.55) SLC6A2SLC6A4SLC6A3KDM4ELMNA
SCHEMBL1643398 0.81 SLC6A4 (0.52) SLC6A2SLC6A4SLC6A3KDM4ELMNA
SCHEMBL1643396 0.80 SLC6A4 (0.69) SLC6A2SLC6A4SLC6A3KDM4ELMNA
SCHEMBL3683791 0.79 MAPT (0.67) SLC6A2SLC6A4SLC6A3LMNAGSTP1
SCHEMBL3192741 0.78 AKR1C3 (0.60) SLC6A2SLC6A4SLC6A3KDM4ELMNA
SCHEMBL1644431 0.78 SLC6A4 (0.56) SLC6A2SLC6A4SLC6A3KDM4ELMNA
SCHEMBL3838973 0.77 SLC6A4 (0.56) SLC6A2SLC6A4SLC6A3KDM4ELMNA
SCHEMBL1645181 0.77 SLC6A4 (0.75) SLC6A2SLC6A4SLC6A3KDM4ELMNA
SCHEMBL1645182 0.75 TXNRD1 (0.67) SLC6A2SLC6A4SLC6A3KDM4ELMNA
SCHEMBL4003277 0.75 LMNA (0.68) SLC6A2SLC6A4SLC6A3KDM4ELMNA

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 SLC6A2 3/4885SLC6A4 1/4885SLC6A3 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.