SCHEMBL1399236

SCHEMBL1399236

CN(C)C(=O)c1ccccc1Sc1c[nH]c2c([N+](=O)[O-])cccc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 3/20 0.53
DNA2 P51530 1/20 0.48
CASP6 P55212 1/20 0.48
CTDSP1 Q9GZU7 1/20 0.48
SLC6A2 P23975 2/20 0.46
SLC6A3 Q01959 2/20 0.46
DYRK1A Q13627 1/20 0.43
MAPT P10636 4/20 0.43
ALDH1A1 P00352 3/20 0.43
KMT2A Q03164 3/20 0.43
HPGD P15428 2/20 0.43
MEN1 O00255 2/20 0.43
CLK1 P49759 2/20 0.39
GSK3B P49841 1/20 0.39
CDK5 Q00535 1/20 0.39
CDK5R1 Q15078 1/20 0.39
FBP1 P09467 2/20 0.37
GSTP1 P09211 1/20 0.37
GSTM2 P28161 1/20 0.37
PARP1 P09874 1/20 0.37

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
SCHEMBL1399418 0.82 BRPF1 (0.48) SLC6A4MAPTALDH1A1KMT2AHPGD
SCHEMBL1399455 0.81 ALDH1A1 (0.55) SLC6A4DYRK1AMAPTALDH1A1KMT2A
SCHEMBL1399443 0.80 ALDH1A1 (0.48) DYRK1AMAPTALDH1A1KMT2AHPGD
SCHEMBL1399458 0.77 GFER (0.52) SLC6A4SLC6A2MAPTALDH1A1KMT2A
SCHEMBL1643390 0.73 SLC6A4 (0.70) SLC6A4SLC6A2SLC6A3MAPTALDH1A1
SCHEMBL1645253 0.73 SLC6A4 (0.65) SLC6A4SLC6A2SLC6A3MAPTALDH1A1
SCHEMBL8534092 0.73 ALDH1A1 (0.69) SLC6A4SLC6A2SLC6A3MAPTALDH1A1
SCHEMBL4388205 0.72 DNA2 (0.37) SLC6A4DNA2CASP6CTDSP1DYRK1A
SCHEMBL5832891 0.72 SLC6A4 (0.64) SLC6A4SLC6A2SLC6A3MAPTALDH1A1
SCHEMBL235621 0.72 SLC6A4 (0.64) SLC6A4SLC6A2SLC6A3MAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1860100-B1 2-(1H-indolylsulfanyl)-benzyl amine derivatives as SSRI LUNDBECK & CO AS H (DK) 2011-03-02 EP disclosed
US-7737171-B2 Uses of 2-(1H-indolylsulfanyl)-benzyl amine derivatives as SSRIS H. LUNDBECK A/S (DK) 2010-06-15 US disclosed
US-7737170-B2 Uses of 2-(1H-indolylsulfanyl)-benzyl amine derivatives as SSRIS H. LUNDBECK A/S (DK) 2010-06-15 US disclosed
US-7652150-B2 2-(1H-indolylsulfanyl)-benzyl amine derivatives as SSRIs H. LUNDBECK A/S (DK) 2010-01-26 US disclosed
US-7563908-B2 2-(1H-indolylsulfanyl)-benzyl amine derivatives as SSRI H. LUNDBECK A/S (DK) 2009-07-21 US disclosed
US-20080214644-A1 2-(1H-INDOLYLSULFANYL)-BENZYL AMINE DERIVATIVES AS SSRI H. LUNDBECK A/S (DK) 2008-09-04 US disclosed
US-20080214645-A1 USES OF 2-(1H-INDOLYLSULFANYL)-BENZYL AMINE DERIVATIVES AS SSRIS H. LUNDBECK A/S (DK) 2008-09-04 US disclosed
US-20080176922-A1 USES OF 2-(1H-INDOLYLSULFANYL)-BENZYL AMINE DERIVATIVES AS SSRIS H. LUNDBECK A/S (DK) 2008-07-24 US disclosed
EP-1701940-B1 2-(1H-INDOLYLSULFANYL)-BENZYL AMINE DERIVATIVES AS SSRI LUNDBECK & CO AS H (DK) 2008-05-28 EP disclosed
EP-1860100-A2 2-(1H-indolylsulfanyl)-benzyl amine derivatives as SSRI H. Lundbeck A/S (DK) 2007-11-28 EP disclosed
US-20060160880-A1 2-(1H-indolylsulfanyl)-benzyl amine derivatives as SSRI H. LUNDBECK A/S (DK) 2006-07-20 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 (4 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-20060160880-A1 2-(1H-indolylsulfanyl)-benzyl amine derivatives as SSRI TPH1, TPH2, HTR2B SLC6A4 10/4885DNA2 3567/4885CASP6 3605/4885
US-20080176922-A1 USES OF 2-(1H-INDOLYLSULFANYL)-BENZYL AMINE DERIVATIVES AS SSRIS TPH2, TPH1, HTR1B SLC6A4 12/4885DNA2 3988/4885CASP6 4497/4885
US-20080214645-A1 USES OF 2-(1H-INDOLYLSULFANYL)-BENZYL AMINE DERIVATIVES AS SSRIS TPH2, TPH1, HTR1B SLC6A4 12/4885DNA2 3988/4885CASP6 4497/4885
US-20080214644-A1 2-(1H-INDOLYLSULFANYL)-BENZYL AMINE DERIVATIVES AS SSRI TPH2, TPH1, HTR2B SLC6A4 10/4885DNA2 3569/4885CASP6 3240/4885

“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.