SCHEMBL4381230

SCHEMBL4381230

CN(CCc1ccccc1Sc1c[nH]c2cc(F)ccc12)C(=O)OC(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 8/20 0.43
CCND1 P24385 8/20 0.43
IDO1 P14902 1/20 0.41
ACHE P22303 3/20 0.41
BCHE P06276 2/20 0.41
HTR1A P08908 1/20 0.40
MPO P05164 1/20 0.37
HTR2A P28223 1/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 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
SCHEMBL4393850 0.94 ACHE (0.40) CDK4CCND1IDO1ACHEBCHE
SCHEMBL4397756 0.93 ACHE (0.42) CDK4CCND1IDO1ACHEBCHE
SCHEMBL4397592 0.93 IDO1 (0.51) CDK4CCND1IDO1MPOHTR2A
SCHEMBL4391535 0.90 CDK4 (0.51) CDK4CCND1IDO1
SCHEMBL4393672 0.89 BCHE (0.39) CDK4CCND1IDO1ACHEBCHE
SCHEMBL4387834 0.88 CDK4 (0.47) CDK4CCND1
SCHEMBL4384406 0.87 IDO1 (0.41) CDK4CCND1IDO1ACHEBCHE
SCHEMBL4389016 0.83 IDO1 (0.50) CDK4CCND1IDO1SLC6A4
SCHEMBL4391454 0.82 SMN1; SMN2 (0.45) CDK4CCND1HTR1AHTR2ASLC6A4
SCHEMBL4388625 0.82 HTR2A (0.45) CDK4CCND1HTR1AHTR2ASLC6A2

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 5 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
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 CDK4 550/4885CCND1 686/4885IDO1 45/4885

“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.