SCHEMBL4397688

SCHEMBL4397688

CNCCCCc1ccccc1Sc1c[nH]c2cccc(Cl)c12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.46
SLC6A4 P31645 1/20 0.45
GPR84 Q9NQS5 1/20 0.45
PRMT1 Q99873 1/20 0.44
TAAR1 Q96RJ0 1/20 0.40
HTR2A P28223 5/20 0.40
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
HTR1A P08908 2/20 0.39
HTT P42858 1/20 0.39
SLC6A2 P23975 2/20 0.39
HPGD P15428 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NR4A2 P43354 1/20 0.36
PTGER3 P43115 1/20 0.36
RHEB Q15382 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
IFNAR1 P17181 1/20 0.35
MPO P05164 1/20 0.35
DRD2 P14416 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
SCHEMBL4389000 0.96 IDO1 (0.46) IDO1SLC6A4GPR84PRMT1TAAR1
SCHEMBL4385853 0.92 TAAR1 (0.50) IDO1SLC6A4GPR84PRMT1TAAR1
SCHEMBL4387028 0.84 HTR2A (0.45) IDO1HTR2AKDM4EALDH1A1HTR1A
SCHEMBL1399315 0.84 IFNAR1 (0.51) IDO1SLC6A4GPR84PRMT1KDM4E
SCHEMBL4971879 0.83 IDO1 (0.47) IDO1SLC6A4GPR84PRMT1HTR2A
SCHEMBL4383376 0.83 HTR1A (0.52) IDO1SLC6A4GPR84HTR2AKDM4E
SCHEMBL1399316 0.82 IDO1 (0.47) IDO1SLC6A4GPR84TAAR1HTR2A
SCHEMBL4389932 0.81 HTR2A (0.46) IDO1HTR2AKDM4EALDH1A1HTR1A
SCHEMBL4387868 0.80 HTR2A (0.55) IDO1SLC6A4GPR84HTR2AKDM4E
SCHEMBL4387833 0.80 IDO1 (0.49) IDO1SLC6A4GPR84PRMT1TAAR1

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-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
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-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 45/4885SLC6A4 70/4885GPR84 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.