SCHEMBL7065552

SCHEMBL7065552

CSc1ccc(Oc2ccc([N+](=O)[O-])cc2CO)cc1C

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 8/20 0.54
SLC6A2 P23975 3/20 0.42
SLC6A3 Q01959 3/20 0.42
HRH3 Q9Y5N1 3/20 0.42
TBXA2R P21731 4/20 0.42
ALDH1A1 P00352 4/20 0.40
MAPT P10636 3/20 0.40
HTT P42858 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40
GLA P06280 1/20 0.40
GAA P10253 1/20 0.40
THRB P10828 1/20 0.40
CACNA1C Q13936 1/20 0.40
TTR P02766 1/20 0.39
HSPB1 P04792 1/20 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
SCHEMBL6946066 0.88 SLC6A4 (0.69) SLC6A4SLC6A2SLC6A3ALDH1A1MAPT
SCHEMBL6946030 0.86 SLC6A4 (0.54) SLC6A4SLC6A2SLC6A3HRH3ALDH1A1
SCHEMBL7160253 0.86 SLC6A4 (0.54) SLC6A4SLC6A2SLC6A3HRH3TBXA2R
SCHEMBL3362794 0.81 SLC6A4 (0.79) SLC6A4SLC6A2SLC6A3HRH3
SCHEMBL11233311 0.80 ALDH1A1 (0.50) SLC6A4ALDH1A1MAPTHTTMEN1
SCHEMBL6521172 0.78 TXNRD1 (0.46) ALDH1A1MAPTHTTMEN1KMT2A
SCHEMBL641452 0.76 TBXA2R (0.53) TBXA2RALDH1A1MAPTMEN1KMT2A
SCHEMBL15080264 0.76 SLC6A4 (0.56) SLC6A4SLC6A2SLC6A3HRH3ALDH1A1
SCHEMBL23292617 0.76 MAPT (0.53) SLC6A4SLC6A2SLC6A3TBXA2RALDH1A1
SCHEMBL16961634 0.75 ALDH1A1 (0.62) ALDH1A1MAPTHTTMEN1KMT2A

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-6610747-B2 Such as 4-(2,3-dihydro-1-benzothien-5-yloxy)-3-((methylamino) methyl)-benzenesulfonamide for use as serotonin re-uptake inhibitors (SSRIs) in treatment of depression, attention deficit hyperactivity disorder, obsessive-compulsive disorder PFIZER INC. 2003-08-26 US disclosed
EP-1313701-A1 PHENOXYBENZYLAMINE DERIVATIVES AS SELECTIVE SEROTONIN RE-UPTAKE INHIBITORS Pfizer Limited (GB) 2003-05-28 EP disclosed
US-20030060456-A1 Such as 4-(2,3-dihydro-1-benzothien-5-yloxy)-3-((methylamino) methyl)-benzenesulfonamide for use as serotonin re-uptake inhibitors (SSRIs) in treatment of depression, attention deficit hyperactivity disorder, obsessive-compulsive disorder PFIZER INC. 2003-03-27 US disclosed
WO-2002018333-A1 PHENOXYBENZYLAMINE DERIVATIVES AS SELECTIVE SEROTONIN RE-UPTAKE INHIBITORS PFIZER LIMITED (GB) 2002-03-07 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-20030060456-A1 Such as 4-(2,3-dihydro-1-benzothien-5-yloxy)-3-((methylamino) methyl)-benzenesulfonamide for use as serotonin re-uptake inhibitors (SSRIs) in treatment of depression, attention deficit hyperactivity disorder, obsessive-compulsive disorder HTR6, HTR2C, SLC6A3 SLC6A4 5/4885SLC6A2 9/4885SLC6A3 3/4885

“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.