SCHEMBL6076245

SCHEMBL6076245

CC(=O)NCC1=C(Cc2ccccc2)Oc2ccc(SC(=O)c3ccco3)cc2O1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 4/20 0.43
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
CTDSP1 Q9GZU7 1/20 0.35
ALDH1A1 P00352 6/20 0.34
HPGD P15428 3/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MAPT P10636 3/20 0.33
USP2 O75604 1/20 0.33
POLB P06746 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
HSD17B10 Q99714 1/20 0.33
KMT2A Q03164 3/20 0.33
MEN1 O00255 2/20 0.33
TSHR P16473 1/20 0.33
MTNR1B P49286 2/20 0.33
GAA P10253 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
KDM4E B2RXH2 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
SCHEMBL6076248 0.78 MTNR1A (0.51) MTNR1ARAB9ACTDSP1ALDH1A1MAPT
SCHEMBL6077132 0.78 MTNR1A (0.52) MTNR1ANPC1RAB9AKMT2AMTNR1B
SCHEMBL6077349 0.77 MTNR1A (0.51) MTNR1ARAB9AHPGDHSD17B10KMT2A
SCHEMBL7202107 0.76 MTNR1A (0.72) MTNR1AMTNR1B
SCHEMBL6076259 0.73 MTNR1A (0.44) MTNR1AALDH1A1MTNR1B
SCHEMBL6077210 0.63 MTNR1A (0.78) MTNR1ANPSR1KMT2AMEN1MTNR1B
SCHEMBL7202654 0.62 MTNR1A (0.70) MTNR1ANPC1RAB9AALDH1A1MAPT
SCHEMBL7198383 0.61 MTNR1A (1.00) MTNR1AALDH1A1NPSR1KMT2AMTNR1B
SCHEMBL7198597 0.60 MTNR1A (1.00) MTNR1AALDH1A1HPGDSMN1; SMN2HSD17B10
SCHEMBL97001 0.60 KMT2A (0.68) RAB9AALDH1A1HPGDSMN1; SMN2MAPT

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
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

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 MTNR1A 465/4885NPC1 2639/4885RAB9A 394/4885
US-20050124682-A1 Substituted cyclic compounds CCNY, CCNT2, TECR MTNR1A 465/4885NPC1 2639/4885RAB9A 394/4885

“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.