SCHEMBL4387833

SCHEMBL4387833

CNCCc1cc(Cl)ccc1Sc1c[nH]c2cccc(Cl)c12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 3/20 0.49
HTR2A P28223 3/20 0.46
GPR84 Q9NQS5 1/20 0.46
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 1/20 0.43
HTR1A P08908 1/20 0.43
HTT P42858 1/20 0.43
TAAR1 Q96RJ0 2/20 0.41
SLC6A4 P31645 1/20 0.41
SLC6A2 P23975 1/20 0.40
PTGER3 P43115 1/20 0.39
RHEB Q15382 2/20 0.39
MEN1 O00255 1/20 0.37
CYP2D6 P10635 1/20 0.37
HTR2C P28335 1/20 0.37
KMT2A Q03164 1/20 0.37
MPO P05164 1/20 0.37
NR4A2 P43354 1/20 0.37
CHRNB2 P17787 1/20 0.37
CHRNA7 P36544 1/20 0.37

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
SCHEMBL4382024 0.88 MPO (0.49) IDO1HTR2AGPR84KDM4EALDH1A1
SCHEMBL4385853 0.88 TAAR1 (0.50) IDO1HTR2AGPR84KDM4EALDH1A1
SCHEMBL4391401 0.86 HTR2A (0.56) IDO1HTR2AKDM4EALDH1A1HTR1A
SCHEMBL4389805 0.85 IDO1 (0.48) IDO1HTR2AGPR84SLC6A4PTGER3
SCHEMBL4386685 0.83 IDO1 (0.55) IDO1HTR2AGPR84KDM4EALDH1A1
SCHEMBL1399290 0.82 IDO1 (0.50) IDO1HTR2AGPR84SLC6A4SLC6A2
SCHEMBL4389000 0.81 IDO1 (0.46) IDO1HTR2AGPR84KDM4EALDH1A1
SCHEMBL4397688 0.80 IDO1 (0.46) IDO1HTR2AGPR84KDM4EALDH1A1
SCHEMBL1399234 0.79 IDO1 (0.49) IDO1GPR84KDM4EALDH1A1SLC6A4
SCHEMBL4383112 0.78 MPO (0.51) IDO1HTR2AGPR84HTR1AMPO

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 IDO1 45/4885HTR2A 121/4885GPR84 3005/4885

“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.