SCHEMBL1399226

SCHEMBL1399226

CNCc1ccccc1Sc1ccc2[nH]ccc2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 7/20 0.52
SLC6A4 P31645 7/20 0.52
SLC6A3 Q01959 5/20 0.52
MEN1 O00255 1/20 0.52
POLB P06746 1/20 0.52
KMT2A Q03164 1/20 0.52
IFNAR1 P17181 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.47
RECQL P46063 2/20 0.41
LMNA P02545 1/20 0.41
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
G6PD P11413 1/20 0.39
PKM P14618 1/20 0.39
HPGD P15428 1/20 0.39
MAPK1 P28482 1/20 0.39
CCR6 P51684 1/20 0.39
MCL1 Q07820 1/20 0.39
HKDC1 Q2TB90 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
SCHEMBL1399439 0.91 SLC6A2 (0.51) SLC6A2SLC6A4SLC6A3MEN1POLB
SCHEMBL1399472 0.80 NPC1 (0.40) SLC6A2SLC6A4SLC6A3HPGDNPC1
SCHEMBL1570686 0.76 SLC6A2 (0.55) SLC6A2SLC6A4SLC6A3NPC1CYP2D6
SCHEMBL1399230 0.75 IFNAR1 (0.62) SLC6A2SLC6A4SLC6A3MEN1POLB
SCHEMBL1399336 0.75 IFNAR1 (0.62) SLC6A2SLC6A4SLC6A3MEN1POLB
SCHEMBL16644108 0.74 SMN1; SMN2 (0.57) SLC6A2SLC6A4SLC6A3MEN1POLB
SCHEMBL11753290 0.74 SLC6A4 (0.69) SLC6A2SLC6A4SLC6A3MEN1POLB
SCHEMBL1571426 0.73 IMPDH2 (0.49) SLC6A2SLC6A4SLC6A3NPC1GFER
SCHEMBL12629158 0.72 SMN1; SMN2 (0.55) SLC6A2SLC6A4SLC6A3MEN1POLB
SCHEMBL13912377 0.72 SMN1; SMN2 (0.55) SLC6A2SLC6A4SLC6A3MEN1POLB

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 17 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 claimed
US-7563908-B2 2-(1H-indolylsulfanyl)-benzyl amine derivatives as SSRI H. LUNDBECK A/S (DK) 2009-07-21 US claimed
US-20080214645-A1 USES OF 2-(1H-INDOLYLSULFANYL)-BENZYL AMINE DERIVATIVES AS SSRIS H. LUNDBECK A/S (DK) 2008-09-04 US claimed
EP-1860100-A2 2-(1H-indolylsulfanyl)-benzyl amine derivatives as SSRI H. Lundbeck A/S (DK) 2007-11-28 EP claimed
US-20060160880-A1 2-(1H-indolylsulfanyl)-benzyl amine derivatives as SSRI H. LUNDBECK A/S (DK) 2006-07-20 US claimed
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-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 SLC6A2 11/4885SLC6A4 10/4885SLC6A3 25/4885
US-20080176922-A1 USES OF 2-(1H-INDOLYLSULFANYL)-BENZYL AMINE DERIVATIVES AS SSRIS TPH2, TPH1, HTR1B SLC6A2 11/4885SLC6A4 12/4885SLC6A3 26/4885
US-20080214645-A1 USES OF 2-(1H-INDOLYLSULFANYL)-BENZYL AMINE DERIVATIVES AS SSRIS TPH2, TPH1, HTR1B SLC6A2 11/4885SLC6A4 12/4885SLC6A3 26/4885
US-20080214644-A1 2-(1H-INDOLYLSULFANYL)-BENZYL AMINE DERIVATIVES AS SSRI TPH2, TPH1, HTR2B SLC6A2 11/4885SLC6A4 10/4885SLC6A3 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.