SCHEMBL4388700

SCHEMBL4388700

CNCCc1cc(F)ccc1Sc1c[nH]c2ccccc12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MPO P05164 5/20 0.57
HTR1A P08908 2/20 0.56
HTR2A P28223 2/20 0.56
KDM4E B2RXH2 2/20 0.56
ALDH1A1 P00352 1/20 0.56
HTT P42858 1/20 0.56
IDO1 P14902 2/20 0.50
GPR84 Q9NQS5 1/20 0.47
SLC6A4 P31645 1/20 0.46
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
GFER P55789 1/20 0.43
TUBB4A P04350 2/20 0.43
TUBB P07437 2/20 0.43
TUBA3C P0DPH7 2/20 0.43
TUBA1B P68363 2/20 0.43
TUBA4A P68366 2/20 0.43
TUBB4B P68371 2/20 0.43
TUBB3 Q13509 2/20 0.43
TUBB2A Q13885 2/20 0.43

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
SCHEMBL4389021 0.90 MPO (0.56) MPOHTR1AHTR2AKDM4EALDH1A1
SCHEMBL4391470 0.86 MPO (0.54) MPOHTR1AHTR2AKDM4EALDH1A1
SCHEMBL4389081 0.86 MPO (0.64) MPOHTR1AHTR2AKDM4EALDH1A1
SCHEMBL4391401 0.86 HTR2A (0.56) MPOHTR1AHTR2AKDM4EALDH1A1
SCHEMBL4388061 0.85 HTR2A (0.64) MPOHTR1AHTR2AKDM4EALDH1A1
SCHEMBL4382024 0.84 MPO (0.49) MPOHTR1AHTR2AKDM4EALDH1A1
SCHEMBL4383112 0.83 MPO (0.51) MPOHTR1AHTR2AIDO1GPR84
SCHEMBL4395499 0.82 HTR2A (0.54) HTR1AHTR2AKDM4EALDH1A1HTT
SCHEMBL4963649 0.82 MPO (0.56) MPOHTR1AHTR2AIDO1GPR84
SCHEMBL4392323 0.80 MPO (0.57) MPOHTR1AHTR2AKDM4EALDH1A1

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 MPO 495/4885HTR1A 211/4885HTR2A 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.