SCHEMBL4385897

SCHEMBL4385897

CN(CCCc1ccccc1Sc1cn(C)c2ccccc12)C(=O)OC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.41
GSK3B P49841 1/20 0.41
ALDH1A1 P00352 2/20 0.41
BRD4 O60885 1/20 0.38
HPGD P15428 1/20 0.37
HSD17B10 Q99714 1/20 0.37
RXFP1 Q9HBX9 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MAPT P10636 2/20 0.35
GBA1 P04062 1/20 0.35
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL4391721 0.97 KDM4E (0.41) KDM4EGSK3BALDH1A1BRD4HPGD
SCHEMBL4388066 0.94 KDM4E (0.43) KDM4EGSK3BALDH1A1BRD4MAPT
SCHEMBL4063459 0.80 GBA1 (0.39) ALDH1A1SMN1; SMN2MAPTGBA1LMNA
SCHEMBL4067254 0.79 GBA1 (0.35) ALDH1A1BRD4HPGDSMN1; SMN2MAPT
SCHEMBL4391454 0.79 SMN1; SMN2 (0.45) ALDH1A1SMN1; SMN2
SCHEMBL4067004 0.77 GBA1 (0.39) ALDH1A1SMN1; SMN2MAPTGBA1LMNA
SCHEMBL4397673 0.76 SMN1; SMN2 (0.44) ALDH1A1SMN1; SMN2
SCHEMBL4071441 0.76 GBA1 (0.35) ALDH1A1BRD4HPGDSMN1; SMN2MAPT
SCHEMBL4394022 0.74 NPC1 (0.38) SMN1; SMN2
SCHEMBL4389267 0.73 CDK4 (0.39) SMN1; SMN2MAPTLMNAMEN1KMT2A

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 KDM4E 2090/4885GSK3B 1758/4885ALDH1A1 124/4885

“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.