SCHEMBL4396044

SCHEMBL4396044

CNCCc1ccccc1Sc1c[nH]c2c(Cl)cccc12

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.49
PRMT1 Q99873 1/20 0.45
HTR2A P28223 4/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
HTR1A P08908 1/20 0.44
HTT P42858 1/20 0.44
IFNAR1 P17181 1/20 0.42
SLC6A4 P31645 1/20 0.41
AR P10275 1/20 0.39
PCSK9 Q8NBP7 1/20 0.39
NR4A2 P43354 1/20 0.38
DYRK1A Q13627 2/20 0.38
AHR P35869 1/20 0.37
LMNA P02545 1/20 0.36
RECQL P46063 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
SLC6A2 P23975 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
SCHEMBL1399267 0.88 IFNAR1 (0.57) PRMT1HTR2AIFNAR1SLC6A4AR
SCHEMBL4383132 0.85 TAAR1 (0.49) TAAR1HTR2AKDM4EALDH1A1HTR1A
SCHEMBL1399164 0.84 HTR2A (0.63) TAAR1HTR2ASLC6A4ARPCSK9
SCHEMBL4390799 0.83 MTNR1A (0.49) HTR2AKDM4EALDH1A1HTR1AHTT
SCHEMBL4385853 0.81 TAAR1 (0.50) TAAR1PRMT1HTR2AKDM4EALDH1A1
SCHEMBL4388061 0.81 HTR2A (0.64) HTR2AKDM4EALDH1A1HTR1AHTT
SCHEMBL8198404 0.80 HTR2A (0.65) TAAR1HTR2AKDM4EALDH1A1HTR1A
SCHEMBL1399178 0.80 LMNA (0.56) PRMT1ALDH1A1SLC6A4LMNASMN1; SMN2
SCHEMBL4388975 0.77 IDO1 (0.62) HTR2AKDM4EALDH1A1HTR1AHTT
SCHEMBL1399276 0.75 PCSK9 (0.46) HTR2AIFNAR1SLC6A4PCSK9NR4A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1893575-B1 2-(1H-INDOLYLSULFANYL)-ARYL AMINE DERIVATIVES H LUNDBECK AS (DK) 2017-01-11 EP claimed
US-7629473-B2 2-(1H-indolylsulfanyl)-aryl amine derivatives H. LUNDBECK A/S (DK) 2009-12-08 US claimed
EP-1893575-A2 2-(1H-INDOLYLSULFANYL)-ARYL AMINE DERIVATIVES H.Lundbeck A/S (DK) 2008-03-05 EP claimed
WO-2006134499-A2 2-(1H-INDOLYLSULFANYL)-ARYL AMINE DERIVATIVES H. LUNDBECK A/S (DK) 2006-12-21 WO claimed
US-20060287382-A1 2-(1H-indolylsulfanyl)-aryl amine derivatives H. LUNDBECK A/S (DK) 2006-12-21 US claimed
EP-1893575-B1 2-(1H-INDOLYLSULFANYL)-ARYL AMINE DERIVATIVES H LUNDBECK AS (DK) 2017-01-11 EP disclosed
EP-1893575-B1 2-(1H-INDOLYLSULFANYL)-ARYL AMINE DERIVATIVES H LUNDBECK AS (DK) 2017-01-11 EP disclosed
US-8778998-B2 Biphenyl-3-carboxylic acid modulators of beta-3-adrenoreceptor AUSPEX PHARMACEUTICALS, INC. (US) 2014-07-15 US disclosed
US-7629473-B2 2-(1H-indolylsulfanyl)-aryl amine derivatives H. LUNDBECK A/S (DK) 2009-12-08 US disclosed
US-7629473-B2 2-(1H-indolylsulfanyl)-aryl amine derivatives H. LUNDBECK A/S (DK) 2009-12-08 US disclosed
US-7629473-B2 2-(1H-indolylsulfanyl)-aryl amine derivatives H. LUNDBECK A/S (DK) 2009-12-08 US disclosed
EP-1893575-A2 2-(1H-INDOLYLSULFANYL)-ARYL AMINE DERIVATIVES H.Lundbeck A/S (DK) 2008-03-05 EP disclosed
WO-2006134499-A2 2-(1H-INDOLYLSULFANYL)-ARYL AMINE DERIVATIVES H. LUNDBECK A/S (DK) 2006-12-21 WO disclosed
US-20060287382-A1 2-(1H-indolylsulfanyl)-aryl amine derivatives H. LUNDBECK A/S (DK) 2006-12-21 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 (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-20060287382-A1 2-(1H-indolylsulfanyl)-aryl amine derivatives CYP11B2, CYP1A2, CYP4B1 TAAR1 341/4885PRMT1 718/4885HTR2A 121/4885

“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.