SCHEMBL4396269

SCHEMBL4396269

COc1cc(CCN(C)C(=O)OC(C)(C)C)c(Sc2c[nH]c3cccc(Cl)c23)cc1OC

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.45
HTR6 P50406 1/20 0.40
SLC6A4 P31645 1/20 0.40
CDK4 P11802 4/20 0.39
CCND1 P24385 4/20 0.39
PTGER3 P43115 5/20 0.38
MEN1 O00255 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
MAPT P10636 1/20 0.38
CYP2C19 P33261 1/20 0.38
KMT2A Q03164 1/20 0.38
NR4A2 P43354 1/20 0.37
MTNR1A P48039 1/20 0.35
MTNR1B P49286 1/20 0.35
PDE4D Q08499 1/20 0.35
CCNE2 O96020 1/20 0.35
CCNE1 P24864 1/20 0.35
CDK2 P24941 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
SCHEMBL4393858 0.88 CDK4 (0.43) IDO1HTR6SLC6A4CDK4CCND1
SCHEMBL4389097 0.88 CDK4 (0.42) IDO1HTR6SLC6A4CDK4CCND1
SCHEMBL4386317 0.88 IDO1 (0.41) IDO1HTR6SLC6A4CDK4CCND1
SCHEMBL4388022 0.86 CDK4 (0.49) IDO1CDK4CCND1MEN1CYP1A2
SCHEMBL4388601 0.85 SLC6A4 (0.47) IDO1SLC6A4CDK4CCND1PTGER3
SCHEMBL4396116 0.82 SLC6A4 (0.43) IDO1SLC6A4CDK4CCND1PTGER3
SCHEMBL4384406 0.81 IDO1 (0.41) IDO1SLC6A4CDK4CCND1PDE4D
SCHEMBL4388802 0.80 HTR6 (0.43) IDO1HTR6CDK4CCND1PTGER3
SCHEMBL4388625 0.77 HTR2A (0.45) HTR6CDK4CCND1
SCHEMBL4386685 0.77 IDO1 (0.55) IDO1HTR6SLC6A4PTGER3MEN1

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 IDO1 45/4885HTR6 144/4885SLC6A4 70/4885

“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.