SCHEMBL735623

SCHEMBL735623

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 4/20 0.53
NR4A2 P43354 5/20 0.46
CREBBP Q92793 1/20 0.46
MAPT P10636 1/20 0.44
SLC6A4 P31645 1/20 0.42
SLC6A3 Q01959 1/20 0.42
POLB P06746 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TUBB4A P04350 2/20 0.41
TUBB P07437 2/20 0.41
TUBA3C P0DPH7 2/20 0.41
TUBA1B P68363 2/20 0.41
TUBA4A P68366 2/20 0.41
TUBB4B P68371 2/20 0.41
TUBB3 Q13509 2/20 0.41
TUBB2A Q13885 2/20 0.41
TUBB8 Q3ZCM7 2/20 0.41
TUBA3E Q6PEY2 2/20 0.41
TUBA1A Q71U36 2/20 0.41
TUBA1C Q9BQE3 2/20 0.41

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
SCHEMBL1399284 0.91 IDO1 (0.66) IDO1NR4A2CREBBPMAPTSLC6A4
SCHEMBL1399355 0.86 IDO1 (0.47) IDO1SLC6A4SLC6A3
SCHEMBL1399233 0.83 ALDH1A1 (0.48) IDO1MAPTSLC6A4
SCHEMBL4448426 0.81 SLC6A4 (0.51) MAPTSLC6A4SLC6A3POLBHSD17B10
SCHEMBL4235843 0.79 NR4A2 (0.70) NR4A2CREBBPMAPTMAP2K4
SCHEMBL1399340 0.76 IDO1 (0.59) IDO1SLC6A4SLC6A3POLBTUBB4A
SCHEMBL757235 0.76 IDO1 (0.52) IDO1SLC6A4TUBB4ATUBBTUBA3C
SCHEMBL4440485 0.76 HSD17B10 (0.64) MAPTSLC6A4SLC6A3POLBHSD17B10
SCHEMBL18795730 0.75 SLC6A4 (0.46) MAPTSLC6A4SLC6A3POLBHSD17B10
SCHEMBL4069370 0.75 MAPT (0.45) IDO1MAPTSLC6A4SLC6A3POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8138220-B2 [2-(6-fluoro-1H-indol-3-ylsulfanyl)benzyl]methyl amine for the treatment of affective disorders H. LUNDBECK A/S (DK) 2012-03-20 US claimed
US-20090326036-A1 [2-(6-FLUORO-1H-INDOL-3-YLSULFANYL)BENZYL]METHYL AMINE FOR THE TREATMENT OF AFFECTIVE DISORDERS H. LUNDBECK A/S (DK) 2009-12-31 US claimed
EP-2074091-A1 [2-(6-FLOURO-1H-INDOL-3-YLSULFANYL)BENZYL]METHYL AMINE FOR THE TREATMENT OF AFFECTIVE DISORDERS H. Lundbeck A/S (DK) 2009-07-01 EP claimed
WO-2008037258-A1 [2-(6-FLOURO-1H-INDOL-3-YLSULFANYL)BENZYL]METHYL AMINE FOR THE TREATMENT OF AFFECTIVE DISORDERS H. LUNDBECK A/S (DK) 2008-04-03 WO claimed
EP-2074091-B1 [2-(6-FLOURO-1H-INDOL-3-YLSULFANYL)BENZYL]METHYL AMINE FOR THE TREATMENT OF AFFECTIVE DISORDERS LUNDBECK & CO AS H (DK) 2015-01-07 EP disclosed
US-8138220-B2 [2-(6-fluoro-1H-indol-3-ylsulfanyl)benzyl]methyl amine for the treatment of affective disorders H. LUNDBECK A/S (DK) 2012-03-20 US disclosed
US-8138220-B2 [2-(6-fluoro-1H-indol-3-ylsulfanyl)benzyl]methyl amine for the treatment of affective disorders H. LUNDBECK A/S (DK) 2012-03-20 US disclosed
US-8138220-B2 [2-(6-fluoro-1H-indol-3-ylsulfanyl)benzyl]methyl amine for the treatment of affective disorders H. LUNDBECK A/S (DK) 2012-03-20 US disclosed
US-20090326036-A1 [2-(6-FLUORO-1H-INDOL-3-YLSULFANYL)BENZYL]METHYL AMINE FOR THE TREATMENT OF AFFECTIVE DISORDERS H. LUNDBECK A/S (DK) 2009-12-31 US disclosed
US-20090326036-A1 [2-(6-FLUORO-1H-INDOL-3-YLSULFANYL)BENZYL]METHYL AMINE FOR THE TREATMENT OF AFFECTIVE DISORDERS H. LUNDBECK A/S (DK) 2009-12-31 US disclosed
US-20090326036-A1 [2-(6-FLUORO-1H-INDOL-3-YLSULFANYL)BENZYL]METHYL AMINE FOR THE TREATMENT OF AFFECTIVE DISORDERS H. LUNDBECK A/S (DK) 2009-12-31 US disclosed
WO-2009112541-A2 [2-(6-FLOURO-1H-INDOL-3-YLSULFANYL)BENZYL]METHYL AMINE FOR THE TREATMENT OF AFFECTIVE DISORDERS H. LUNDBECK A/S (DK) 2009-09-17 WO disclosed
EP-2074091-A1 [2-(6-FLOURO-1H-INDOL-3-YLSULFANYL)BENZYL]METHYL AMINE FOR THE TREATMENT OF AFFECTIVE DISORDERS H. Lundbeck A/S (DK) 2009-07-01 EP disclosed
WO-2008037258-A1 [2-(6-FLOURO-1H-INDOL-3-YLSULFANYL)BENZYL]METHYL AMINE FOR THE TREATMENT OF AFFECTIVE DISORDERS H. LUNDBECK A/S (DK) 2008-04-03 WO disclosed
WO-2008037258-A1 [2-(6-FLOURO-1H-INDOL-3-YLSULFANYL)BENZYL]METHYL AMINE FOR THE TREATMENT OF AFFECTIVE DISORDERS H. LUNDBECK A/S (DK) 2008-04-03 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 (1 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-20090326036-A1 [2-(6-FLUORO-1H-INDOL-3-YLSULFANYL)BENZYL]METHYL AMINE FOR THE TREATMENT OF AFFECTIVE DISORDERS HTR2C, HTR3B, HTR3C IDO1 108/4885NR4A2 1388/4885CREBBP 2809/4885

“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.