SCHEMBL4388205

SCHEMBL4388205

CN(CCCc1ccccc1Sc1c[nH]c2c([N+](=O)[O-])cccc12)C(=O)OC(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DNA2 P51530 1/20 0.37
CASP6 P55212 1/20 0.37
CTDSP1 Q9GZU7 1/20 0.37
DYRK1A Q13627 1/20 0.36
BCHE P06276 4/20 0.34
ACHE P22303 4/20 0.34
NR1D1 P20393 1/20 0.34
ALDH1A1 P00352 1/20 0.33
SLC6A4 P31645 1/20 0.33
NPC1 O15118 2/20 0.32
RAB9A P51151 1/20 0.32
CLK1 P49759 1/20 0.32
GSK3B P49841 1/20 0.32
CDK5 Q00535 1/20 0.32
CDK5R1 Q15078 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
FBP1 P09467 1/20 0.32
SIGMAR1 Q99720 2/20 0.32

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
SCHEMBL4391454 0.82 SMN1; SMN2 (0.45) ALDH1A1SLC6A4NPC1SMN1; SMN2
SCHEMBL4397676 0.80 SLC6A4 (0.41) SLC6A4
SCHEMBL4395382 0.80 MPO (0.39) SLC6A4
SCHEMBL4397673 0.80 SMN1; SMN2 (0.44) ALDH1A1SLC6A4NPC1SMN1; SMN2
SCHEMBL4388970 0.79 HTR6 (0.47) DYRK1ABCHEACHEALDH1A1NPC1
SCHEMBL4394006 0.78 DYRK1A (0.41) DNA2CASP6CTDSP1DYRK1ASLC6A4
SCHEMBL4394022 0.78 NPC1 (0.38) SLC6A4NPC1SMN1; SMN2
SCHEMBL4389267 0.77 CDK4 (0.39) SLC6A4NPC1SMN1; SMN2
SCHEMBL4387834 0.77 CDK4 (0.47)
SCHEMBL4393850 0.76 ACHE (0.40) BCHEACHESLC6A4NPC1SMN1; SMN2

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 3 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 disclosed
US-7629473-B2 2-(1H-indolylsulfanyl)-aryl amine derivatives H. LUNDBECK A/S (DK) 2009-12-08 US 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 DNA2 2610/4885CASP6 2378/4885CTDSP1 3265/4885

“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.