SCHEMBL4388970

SCHEMBL4388970

COc1cccc2c(Sc3ccccc3CCN(C)C(=O)OC(C)(C)C)c[nH]c12

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.47
CDK4 P11802 3/20 0.43
CCND1 P24385 3/20 0.43
MTNR1A P48039 2/20 0.41
MTNR1B P49286 2/20 0.41
HTR2A P28223 1/20 0.39
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
TACR1 P25103 1/20 0.36
BCHE P06276 4/20 0.36
ACHE P22303 4/20 0.36
DYRK1A Q13627 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
SCHEMBL4395382 0.88 MPO (0.39) CDK4CCND1
SCHEMBL4397676 0.88 SLC6A4 (0.41) CDK4CCND1HTR2A
SCHEMBL4387834 0.84 CDK4 (0.47) CDK4CCND1
SCHEMBL4388022 0.82 CDK4 (0.49) CDK4CCND1TACR1
SCHEMBL4391535 0.80 CDK4 (0.51) CDK4CCND1
SCHEMBL4388802 0.80 HTR6 (0.43) HTR6CDK4CCND1MTNR1AMTNR1B
SCHEMBL5241520 0.80 PDK2 (0.39) KDM4EALDH1A1BCHEACHE
SCHEMBL4388205 0.79 DNA2 (0.37) ALDH1A1NPC1RAB9ABCHEACHE
SCHEMBL4381230 0.79 CDK4 (0.43) CDK4CCND1HTR2ABCHEACHE
SCHEMBL4397592 0.79 IDO1 (0.51) CDK4CCND1MTNR1AMTNR1BHTR2A

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 HTR6 144/4885CDK4 550/4885CCND1 686/4885

“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.