SCHEMBL1399253

SCHEMBL1399253

CNC(=O)c1ccccc1Sc1c[nH]c2cccc(Cl)c12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 1/20 0.49
IDO1 P14902 1/20 0.47
SLC6A3 Q01959 3/20 0.47
SLC6A2 P23975 2/20 0.47
SLC6A4 P31645 2/20 0.47
MAPT P10636 1/20 0.43
PTGER3 P43115 3/20 0.41
GPR84 Q9NQS5 1/20 0.40
DOT1L Q8TEK3 1/20 0.39
PKN2 Q16513 3/20 0.39
FLT1 P17948 3/20 0.39
FLT4 P35916 3/20 0.39
KDR P35968 3/20 0.39
PLK4 O00444 2/20 0.39
AURKA O14965 2/20 0.39
MAP4K4 O95819 2/20 0.39
PAK4 O96013 2/20 0.39
ABL1 P00519 2/20 0.39
LCK P06239 2/20 0.39
CSF1R P07333 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
SCHEMBL5994928 0.95 NR4A2 (0.45) NR4A2IDO1SLC6A3SLC6A2SLC6A4
SCHEMBL1399410 0.88 SLC6A3 (0.49) NR4A2IDO1SLC6A3SLC6A2SLC6A4
SCHEMBL1399366 0.83 ALDH1A1 (0.55) NR4A2IDO1SLC6A4MAPTPTGER3
SCHEMBL1399364 0.81 GFER (0.52) NR4A2IDO1SLC6A3SLC6A2SLC6A4
SCHEMBL1399315 0.76 IFNAR1 (0.51) NR4A2IDO1SLC6A3SLC6A2SLC6A4
SCHEMBL4385853 0.74 TAAR1 (0.50) NR4A2IDO1SLC6A2SLC6A4PTGER3
SCHEMBL1399340 0.72 IDO1 (0.59) IDO1SLC6A3SLC6A2SLC6A4GPR84
SCHEMBL4389000 0.72 IDO1 (0.46) NR4A2IDO1SLC6A2SLC6A4MAPT
SCHEMBL1399355 0.72 IDO1 (0.47) IDO1SLC6A3SLC6A2SLC6A4GPR84
SCHEMBL4397688 0.71 IDO1 (0.46) NR4A2IDO1SLC6A2SLC6A4PTGER3

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-7737170-B2 Uses of 2-(1H-indolylsulfanyl)-benzyl amine derivatives as SSRIS H. LUNDBECK A/S (DK) 2010-06-15 US 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-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 NR4A2 2025/4885IDO1 31/4885SLC6A3 25/4885
US-20080176922-A1 USES OF 2-(1H-INDOLYLSULFANYL)-BENZYL AMINE DERIVATIVES AS SSRIS TPH2, TPH1, HTR1B NR4A2 3589/4885IDO1 38/4885SLC6A3 26/4885
US-20080214645-A1 USES OF 2-(1H-INDOLYLSULFANYL)-BENZYL AMINE DERIVATIVES AS SSRIS TPH2, TPH1, HTR1B NR4A2 3589/4885IDO1 38/4885SLC6A3 26/4885
US-20080214644-A1 2-(1H-INDOLYLSULFANYL)-BENZYL AMINE DERIVATIVES AS SSRI TPH2, TPH1, HTR2B NR4A2 2111/4885IDO1 49/4885SLC6A3 29/4885

“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.