SCHEMBL4396116

SCHEMBL4396116

CN(CCCCc1ccccc1Sc1c[nH]c2cccc(Cl)c12)C(=O)OC(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 1/20 0.43
IDO1 P14902 1/20 0.39
CDK4 P11802 2/20 0.37
CCND1 P24385 2/20 0.37
NR4A2 P43354 1/20 0.36
PTGER3 P43115 3/20 0.36
NPC1 O15118 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HTR2A P28223 3/20 0.35
SLC6A2 P23975 2/20 0.35
HTR2C P28335 1/20 0.35
HTR2B P41595 1/20 0.35
PRMT1 Q99873 1/20 0.34
GPR84 Q9NQS5 1/20 0.33

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
SCHEMBL4388601 0.97 SLC6A4 (0.47) SLC6A4IDO1CDK4CCND1NR4A2
SCHEMBL4393858 0.94 CDK4 (0.43) SLC6A4IDO1CDK4CCND1NR4A2
SCHEMBL4397673 0.86 SMN1; SMN2 (0.44) SLC6A4CDK4CCND1NPC1SMN1; SMN2
SCHEMBL4386317 0.85 IDO1 (0.41) SLC6A4IDO1CDK4CCND1NR4A2
SCHEMBL4388802 0.85 HTR6 (0.43) IDO1CDK4CCND1PTGER3NPC1
SCHEMBL4389097 0.84 CDK4 (0.42) SLC6A4IDO1CDK4CCND1NR4A2
SCHEMBL4391454 0.83 SMN1; SMN2 (0.45) SLC6A4CDK4CCND1NPC1SMN1; SMN2
SCHEMBL4388625 0.82 HTR2A (0.45) CDK4CCND1HTR2ASLC6A2HTR2C
SCHEMBL4396269 0.82 IDO1 (0.45) SLC6A4IDO1CDK4CCND1NR4A2
SCHEMBL4963737 0.79 TACR1 (0.40) IDO1CDK4CCND1

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 SLC6A4 70/4885IDO1 45/4885CDK4 550/4885

“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.