SCHEMBL1399355

SCHEMBL1399355

CNC(=O)c1ccccc1Sc1c[nH]c2cc(F)ccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.47
SLC6A3 Q01959 3/20 0.46
SLC6A2 P23975 2/20 0.46
SLC6A4 P31645 2/20 0.46
KDR P35968 4/20 0.42
FLT1 P17948 3/20 0.42
FLT4 P35916 3/20 0.42
PLK4 O00444 2/20 0.42
AURKA O14965 2/20 0.42
MAP4K4 O95819 2/20 0.42
PAK4 O96013 2/20 0.42
ABL1 P00519 2/20 0.42
LCK P06239 2/20 0.42
CSF1R P07333 2/20 0.42
RET P07949 2/20 0.42
MET P08581 2/20 0.42
PDGFRB P09619 2/20 0.42
KIT P10721 2/20 0.42
FGFR1 P11362 2/20 0.42
PDGFRA P16234 2/20 0.42

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
SCHEMBL1399340 0.91 IDO1 (0.59) IDO1SLC6A3SLC6A2SLC6A4GAA
SCHEMBL735623 0.86 IDO1 (0.53) IDO1SLC6A3SLC6A4
SCHEMBL1399364 0.85 GFER (0.52) IDO1SLC6A3SLC6A2SLC6A4GAA
SCHEMBL1399233 0.83 ALDH1A1 (0.48) IDO1SLC6A4TDO2GPR84
SCHEMBL1399284 0.76 IDO1 (0.66) IDO1SLC6A3SLC6A4
SCHEMBL757235 0.76 IDO1 (0.52) IDO1SLC6A2SLC6A4TDO2GPR84
SCHEMBL736864 0.76 IDO1 (0.49) IDO1SLC6A3SLC6A2SLC6A4LMNA
Cadaverine Tartrate SCHEMBL736824 0.74 RECQL (0.43) IDO1SLC6A3SLC6A2SLC6A4LMNA
SCHEMBL1399410 0.74 SLC6A3 (0.49) IDO1SLC6A3SLC6A2SLC6A4KDR
SCHEMBL4391470 0.74 MPO (0.54) IDO1SLC6A4GPR84

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 13 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
EP-1701940-A1 2-(1H-INDOLYLSULFANYL)-BENZYL AMINE DERIVATIVES AS SSRI H.Lundbeck A/S (DK) 2006-09-20 EP disclosed
US-20060160880-A1 2-(1H-indolylsulfanyl)-benzyl amine derivatives as SSRI H. LUNDBECK A/S (DK) 2006-07-20 US disclosed
WO-2005061455-A1 2-(1H-INDOLYLSULFANYL)-BENZYL AMINE DERIVATIVES AS SSRI H. LUNDBECK A/S (DK) 2005-07-07 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 (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 IDO1 31/4885SLC6A3 25/4885SLC6A2 11/4885
US-20080176922-A1 USES OF 2-(1H-INDOLYLSULFANYL)-BENZYL AMINE DERIVATIVES AS SSRIS TPH2, TPH1, HTR1B IDO1 38/4885SLC6A3 26/4885SLC6A2 11/4885
US-20080214645-A1 USES OF 2-(1H-INDOLYLSULFANYL)-BENZYL AMINE DERIVATIVES AS SSRIS TPH2, TPH1, HTR1B IDO1 38/4885SLC6A3 26/4885SLC6A2 11/4885
US-20080214644-A1 2-(1H-INDOLYLSULFANYL)-BENZYL AMINE DERIVATIVES AS SSRI TPH2, TPH1, HTR2B IDO1 49/4885SLC6A3 29/4885SLC6A2 11/4885

“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.