SCHEMBL1399331

SCHEMBL1399331

CN(C)C(=O)c1ccccc1Sc1c[nH]c2cccc(F)c12

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
ALDH1A1 P00352 2/20 0.46
MAPT P10636 2/20 0.46
HPGD P15428 2/20 0.46
HTR2A P28223 2/20 0.40
HTR2C P28335 1/20 0.40
HTR2B P41595 1/20 0.40
SLC6A4 P31645 3/20 0.39
POLB P06746 1/20 0.39
PKN1 Q16512 1/20 0.39
PKN2 Q16513 1/20 0.39
FFAR1 O14842 1/20 0.38
GPR84 Q9NQS5 1/20 0.38
CDK4 P11802 1/20 0.35
CCND1 P24385 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL1399287 0.88 HPGD (0.48) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL1399371 0.86 ALDH1A1 (0.47) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL1399366 0.85 ALDH1A1 (0.55) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL1399268 0.83 ALDH1A1 (0.44) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL1399436 0.82 MAPT (0.49) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL1399458 0.81 GFER (0.52) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL1399428 0.77 IDO1 (0.59) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL1399233 0.77 ALDH1A1 (0.48) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL8534092 0.77 ALDH1A1 (0.69) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL1399202 0.75 HTR2A (0.51) MEN1KMT2AALDH1A1HTR2AHTR2C

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 MEN1 2695/4885KMT2A 1215/4885ALDH1A1 425/4885
US-20080176922-A1 USES OF 2-(1H-INDOLYLSULFANYL)-BENZYL AMINE DERIVATIVES AS SSRIS TPH2, TPH1, HTR1B MEN1 2543/4885KMT2A 1094/4885ALDH1A1 475/4885
US-20080214645-A1 USES OF 2-(1H-INDOLYLSULFANYL)-BENZYL AMINE DERIVATIVES AS SSRIS TPH2, TPH1, HTR1B MEN1 2543/4885KMT2A 1094/4885ALDH1A1 475/4885
US-20080214644-A1 2-(1H-INDOLYLSULFANYL)-BENZYL AMINE DERIVATIVES AS SSRI TPH2, TPH1, HTR2B MEN1 2795/4885KMT2A 664/4885ALDH1A1 739/4885

“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.