SCHEMBL4385853

SCHEMBL4385853

CNCCc1ccccc1Sc1c[nH]c2cccc(Cl)c12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.50
IDO1 P14902 1/20 0.48
HTR2A P28223 7/20 0.48
HTR1A P08908 2/20 0.48
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.48
HTT P42858 1/20 0.48
GPR84 Q9NQS5 1/20 0.48
SLC6A2 P23975 4/20 0.46
PRMT1 Q99873 1/20 0.46
SLC6A4 P31645 1/20 0.42
NR4A2 P43354 1/20 0.39
RHEB Q15382 1/20 0.38
PTGER3 P43115 1/20 0.38
IFNAR1 P17181 1/20 0.37
DRD2 P14416 1/20 0.36
HTR7 P34969 1/20 0.36
HTR6 P50406 1/20 0.36
NPC1 O15118 1/20 0.36
POLB P06746 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
SCHEMBL4389000 0.93 IDO1 (0.46) TAAR1IDO1HTR2AHTR1AKDM4E
SCHEMBL4397688 0.92 IDO1 (0.46) TAAR1IDO1HTR2AHTR1AKDM4E
SCHEMBL4387833 0.88 IDO1 (0.49) TAAR1IDO1HTR2AHTR1AKDM4E
SCHEMBL1399315 0.87 IFNAR1 (0.51) IDO1KDM4EALDH1A1GPR84SLC6A2
SCHEMBL4382024 0.86 MPO (0.49) TAAR1IDO1HTR2AHTR1AKDM4E
SCHEMBL4393994 0.85 TAAR1 (0.50) TAAR1HTR2AHTR1AKDM4EALDH1A1
SCHEMBL1399316 0.85 IDO1 (0.47) TAAR1IDO1HTR2AGPR84SLC6A2
SCHEMBL4971879 0.84 IDO1 (0.47) IDO1HTR2AHTR1AGPR84SLC6A2
SCHEMBL4386685 0.82 IDO1 (0.55) TAAR1IDO1HTR2AHTR1AKDM4E
SCHEMBL4388061 0.82 HTR2A (0.64) IDO1HTR2AHTR1AKDM4EALDH1A1

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 10 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
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 341/4885IDO1 45/4885HTR2A 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.