SCHEMBL6076964

SCHEMBL6076964

CC(=O)NCC1=c2ccc(SCc3ccccc3)cc2=COC1c1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.34
BCL2A1 Q16548 1/20 0.34
KMT2A Q03164 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
MEN1 O00255 2/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
MAOA P21397 2/20 0.33
MAOB P27338 2/20 0.33
HAO1 Q9UJM8 1/20 0.33
MTNR1A P48039 1/20 0.33
MTNR1B P49286 1/20 0.33
ALDH1A1 P00352 2/20 0.32
DAO P14920 1/20 0.32
KIF11 P52732 1/20 0.32
POLB P06746 1/20 0.32
KDM4E B2RXH2 1/20 0.31
AURKA O14965 1/20 0.31
GSK3A P49840 1/20 0.31

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
SCHEMBL5351841 0.82 MTNR1A (0.34) MCL1KMT2AMTNR1AMTNR1BALDH1A1
SCHEMBL6076955 0.72 ALOX5 (0.40) MCL1BCL2A1KMT2ASMN1; SMN2MEN1
SCHEMBL6075869 0.61 KDM4C (0.46) SMN1; SMN2
SCHEMBL6075868 0.61 SMN1; SMN2 (0.44) SMN1; SMN2MTNR1AMTNR1BALDH1A1
SCHEMBL11659270 0.60 HDAC3 (0.51) MCL1BCL2A1KMT2AMEN1NPC1
SCHEMBL97001 0.60 KMT2A (0.68) KMT2ASMN1; SMN2MEN1RAB9AALDH1A1
SCHEMBL5339077 0.60 MTNR1A (0.71) MTNR1AMTNR1B
SCHEMBL11630712 0.60 MAPT (0.51) MCL1BCL2A1KMT2ASMN1; SMN2MEN1
Acetic Acid SCHEMBL10568555 0.59 KMT2A (0.66) KMT2ASMN1; SMN2MEN1RAB9AALDH1A1
Bromide SCHEMBL30703423 0.59 KMT2A (0.66) KMT2ASMN1; SMN2MEN1RAB9AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1304400-A Novel substituted cyclic compounds, process for their preparation and pharmaceutical compositions containing them ADIR (FR) 2001-07-18 CN 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 MCL1 1822/4885BCL2A1 677/4885KMT2A 1322/4885
US-20050124682-A1 Substituted cyclic compounds CCNY, CCNT2, TECR MCL1 1822/4885BCL2A1 677/4885KMT2A 1322/4885

“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.