SCHEMBL5833353

SCHEMBL5833353

CN(C)C(=O)c1ccccc1Sc1cc(N(C)C)c(Cl)cc1[N+](=O)[O-]

nearest known ligand 0.76

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 4/20 0.76
ALDH1A1 P00352 4/20 0.55
HPGD P15428 3/20 0.55
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
MAPT P10636 2/20 0.55
PDE7A Q13946 6/20 0.48
SLC6A2 P23975 2/20 0.45
SLC6A3 Q01959 2/20 0.45
HTT P42858 1/20 0.43
KDM4E B2RXH2 1/20 0.41
GLA P06280 1/20 0.41
LMNA P02545 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
ITGB2 P05107 1/20 0.40
ICAM1 P05362 1/20 0.40
ITGAL P20701 1/20 0.40
USP7 Q93009 1/20 0.40
PDE7B Q9NP56 2/20 0.39

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
SCHEMBL5832916 0.86 SLC6A4 (0.76) SLC6A4ALDH1A1HPGDMEN1KMT2A
SCHEMBL5832905 0.86 SLC6A4 (1.00) SLC6A4ALDH1A1HPGDMEN1KMT2A
SCHEMBL1643390 0.79 SLC6A4 (0.70) SLC6A4ALDH1A1HPGDMEN1KMT2A
SCHEMBL1645253 0.79 SLC6A4 (0.65) SLC6A4ALDH1A1HPGDMEN1KMT2A
SCHEMBL1645171 0.78 SLC6A4 (0.64) SLC6A4ALDH1A1HPGDMEN1KMT2A
SCHEMBL235621 0.78 SLC6A4 (0.64) SLC6A4ALDH1A1HPGDMEN1KMT2A
SCHEMBL1645187 0.78 SLC6A4 (0.64) SLC6A4ALDH1A1HPGDMEN1KMT2A
SCHEMBL5832891 0.78 SLC6A4 (0.64) SLC6A4ALDH1A1HPGDMEN1KMT2A
Trifluoromethanesulfonic Acid SCHEMBL1110840 0.77 SLC6A4 (0.62) SLC6A4ALDH1A1HPGDMEN1KMT2A
Trifluoromethanesulfonic Acid SCHEMBL1110704 0.77 SLC6A4 (0.62) SLC6A4ALDH1A1HPGDMEN1KMT2A

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 3 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
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 (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 1/4885ALDH1A1 2309/4885HPGD 2395/4885

“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.