SCHEMBL6076955

SCHEMBL6076955

CC(=O)NCC1=Cc2cc(SCc3ccccc3)ccc2OC1c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.36
MTNR1A P48039 2/20 0.34
MCL1 Q07820 1/20 0.34
BCL2A1 Q16548 1/20 0.34
ADK P55263 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MAOA P21397 2/20 0.33
MAOB P27338 2/20 0.33
HAO1 Q9UJM8 1/20 0.33
MTNR1B P49286 1/20 0.33
PTGS2 P35354 2/20 0.32
ALDH1A1 P00352 1/20 0.32
DAO P14920 1/20 0.32

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
SCHEMBL5351838 0.82 ALOX5 (0.44) ALOX5MTNR1AMTNR1BPTGS2
SCHEMBL5336707 0.81 ALOX5 (0.44) ALOX5MTNR1AMTNR1BPTGS2
SCHEMBL5346146 0.81 ALOX5 (0.44) ALOX5SMN1; SMN2MTNR1AMEN1KMT2A
SCHEMBL7840382 0.81 MTNR1A (0.33) MTNR1AMTNR1B
SCHEMBL7203246 0.79 MTNR1A (0.56) ALOX5SMN1; SMN2MTNR1AMEN1KMT2A
SCHEMBL6076233 0.74 ALOX5 (0.39) ALOX5SMN1; SMN2MEN1KMT2ARAB9A
SCHEMBL6076964 0.72 MCL1 (0.34) SMN1; SMN2MTNR1AMCL1BCL2A1MEN1
SCHEMBL5338371 0.70 CYP3A4 (0.43) ALOX5MTNR1ARAB9AL3MBTL1MTNR1B
SCHEMBL5344350 0.69 MTNR1A (0.41) ALOX5MTNR1AL3MBTL1
SCHEMBL6077215 0.69 ALOX5 (0.43) ALOX5MTNR1AMEN1KMT2ANPC1

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1077927-A1 NOVEL SUBSTITUTED CYCLIC COMPOUNDS, PREPARATION METHOD AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ADIR ET COMPAGNIE (FR) 2001-02-28 EP claimed
WO-1999058495-A1 NOVEL SUBSTITUTED CYCLIC COMPOUNDS, PREPARATION METHOD AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ADIR ET COMPAGNIE (FR) 1999-11-18 WO claimed
US-7126012-B2 Substituted cyclic compounds LES LABORATOIRES SERVIER (FR) 2006-10-24 US disclosed
US-7115752-B2 Substituted cyclic compounds LES LABORATOIRES SERVIER (FR) 2006-10-03 US disclosed
US-20050124682-A1 Substituted cyclic compounds LESIEUR DANIEL (FR) 2005-06-09 US disclosed
US-6872851-B1 Substituted cyclic compounds, preparation method and pharmaceutical compositions containing them LES LABORATORIES SERVIER (FR) 2005-03-29 US disclosed
US-20050059729-A1 Substituted cyclic compounds LESIEUR DANIEL (FR) 2005-03-17 US disclosed
CN-1304400-A Novel substituted cyclic compounds, process for their preparation and pharmaceutical compositions containing them ADIR (FR) 2001-07-18 CN disclosed
EP-1077927-A1 NOVEL SUBSTITUTED CYCLIC COMPOUNDS, PREPARATION METHOD AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ADIR ET COMPAGNIE (FR) 2001-02-28 EP disclosed
WO-1999058495-A1 NOVEL SUBSTITUTED CYCLIC COMPOUNDS, PREPARATION METHOD AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ADIR ET COMPAGNIE (FR) 1999-11-18 WO 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 (2 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-20050059729-A1 Substituted cyclic compounds CCNY, CCNT2, TECR ALOX5 2867/4885SMN1; SMN2 4729/4885MTNR1A 465/4885
US-20050124682-A1 Substituted cyclic compounds CCNY, CCNT2, TECR ALOX5 2867/4885SMN1; SMN2 4729/4885MTNR1A 465/4885

“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.