SCHEMBL1399247

SCHEMBL1399247

CNCc1ccc(Cl)cc1Sc1c[nH]c2c(F)cccc12

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 1/20 0.44
IFNAR1 P17181 1/20 0.40
SLC6A4 P31645 11/20 0.39
KCNH2 Q12809 6/20 0.39
SLC6A2 P23975 1/20 0.39
MPO P05164 5/20 0.39
HTR2A P28223 5/20 0.38
IDO1 P14902 2/20 0.37
PCSK9 Q8NBP7 2/20 0.37
RXFP3 Q9NSD7 1/20 0.36

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
SCHEMBL1399201 0.88 IFNAR1 (0.41) IFNAR1SLC6A4KCNH2SLC6A2HTR2A
SCHEMBL1399208 0.87 AR (0.47) IFNAR1SLC6A4KCNH2SLC6A2HTR2A
SCHEMBL1399187 0.86 IFNAR1 (0.42) IFNAR1SLC6A4KCNH2SLC6A2HTR2A
SCHEMBL1399179 0.84 IDO1 (0.48) IFNAR1SLC6A4KCNH2SLC6A2HTR2A
SCHEMBL1399386 0.84 MPO (0.56) GPR84SLC6A4MPOHTR2AIDO1
SCHEMBL1399203 0.83 GPR84 (0.45) GPR84IFNAR1SLC6A4KCNH2SLC6A2
SCHEMBL1399195 0.81 IDO1 (0.51) GPR84IFNAR1HTR2AIDO1
SCHEMBL1399416 0.78 IDO1 (0.56) GPR84SLC6A4HTR2AIDO1
SCHEMBL3182664 0.78 IDO1 (0.51) GPR84IFNAR1SLC6A4KCNH2HTR2A
SCHEMBL1399184 0.78 IDO1 (0.49) GPR84SLC6A4KCNH2MPOHTR2A

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 18 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-7737170-B2 Uses of 2-(1H-indolylsulfanyl)-benzyl amine derivatives as SSRIS H. LUNDBECK A/S (DK) 2010-06-15 US 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 GPR84 1433/4885IFNAR1 1831/4885SLC6A4 10/4885
US-20080176922-A1 USES OF 2-(1H-INDOLYLSULFANYL)-BENZYL AMINE DERIVATIVES AS SSRIS TPH2, TPH1, HTR1B GPR84 2640/4885IFNAR1 2657/4885SLC6A4 12/4885
US-20080214645-A1 USES OF 2-(1H-INDOLYLSULFANYL)-BENZYL AMINE DERIVATIVES AS SSRIS TPH2, TPH1, HTR1B GPR84 2640/4885IFNAR1 2657/4885SLC6A4 12/4885
US-20080214644-A1 2-(1H-INDOLYLSULFANYL)-BENZYL AMINE DERIVATIVES AS SSRI TPH2, TPH1, HTR2B GPR84 1644/4885IFNAR1 2319/4885SLC6A4 10/4885

“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.