SCHEMBL5833091

SCHEMBL5833091

CN(C)CC(Sc1cc(F)c(Cl)cc1[N+](=O)[O-])c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 4/20 0.58
MAPT P10636 5/20 0.39
ALDH1A1 P00352 3/20 0.39
PDE7A Q13946 3/20 0.38
NPSR1 Q6W5P4 2/20 0.38
MAPK1 P28482 2/20 0.38
KDM4E B2RXH2 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
APOBEC3G Q9HC16 1/20 0.38
PDE7B Q9NP56 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2D6 P10635 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
HTT P42858 1/20 0.36
RECQL P46063 1/20 0.36

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
SCHEMBL7091064 0.74 SLC6A4 (1.00) SLC6A4PDE7ALMNASLC6A2SLC6A3
SCHEMBL5833086 0.72 SLC6A4 (0.80) SLC6A4MAPTALDH1A1PDE7APDE7B
SCHEMBL5832916 0.68 SLC6A4 (0.76) SLC6A4MAPTALDH1A1PDE7APDE7B
SCHEMBL30953155 0.66 TDP1 (0.50) SLC6A4MAPTALDH1A1NPSR1MAPK1
SCHEMBL138641 0.66 TDP1 (0.50) SLC6A4MAPTALDH1A1NPSR1MAPK1
SCHEMBL9694173 0.63 TSHR (0.50) SLC6A4MAPTALDH1A1MAPK1TDP1
SCHEMBL29739925 0.63 TDP1 (0.50) SLC6A4MAPTALDH1A1NPSR1MAPK1
SCHEMBL432601 0.63 TDP1 (0.50) SLC6A4MAPTALDH1A1NPSR1MAPK1
SCHEMBL30954114 0.63 ALDH1A1 (0.51) SLC6A4MAPTALDH1A1KDM4ETDP1
SCHEMBL2315534 0.62 ALDH1A1 (0.51) SLC6A4MAPTALDH1A1MAPK1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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

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-20030236234-A1 Fluorinated phenyl thiophenyl derivatives and their use for imaging serotonin transporters SLC6A4, SLCO4C1, SLC6A2 SLC6A4 1/4885MAPT 1102/4885ALDH1A1 2309/4885

“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.