SCHEMBL6076248

SCHEMBL6076248

CC(=O)NCC1=C(Cc2ccccc2)Oc2ccc(OC(=S)c3ccco3)cc2O1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 5/20 0.51
KMT2A Q03164 7/20 0.37
MTNR1B P49286 3/20 0.37
ALDH1A1 P00352 3/20 0.37
HSD17B10 Q99714 1/20 0.37
MAPT P10636 1/20 0.36
TSHR P16473 1/20 0.36
GAA P10253 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
MEN1 O00255 1/20 0.35
CTDSP1 Q9GZU7 1/20 0.34
ALOX12 P18054 1/20 0.34
RAB9A P51151 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
SCHEMBL7202107 0.82 MTNR1A (0.72) MTNR1AMTNR1B
SCHEMBL6076245 0.78 MTNR1A (0.43) MTNR1AKMT2AMTNR1BALDH1A1HSD17B10
SCHEMBL6077132 0.77 MTNR1A (0.52) MTNR1AKMT2AMTNR1BRAB9A
SCHEMBL6077349 0.76 MTNR1A (0.51) MTNR1AKMT2AMTNR1BHSD17B10RAB9A
SCHEMBL6076259 0.75 MTNR1A (0.44) MTNR1AMTNR1BALDH1A1
SCHEMBL7198597 0.68 MTNR1A (1.00) MTNR1AMTNR1BALDH1A1HSD17B10TDP1
SCHEMBL6077210 0.61 MTNR1A (0.78) MTNR1AKMT2AMTNR1BGAAMEN1
SCHEMBL21758204 0.61 KMT2A (0.61) KMT2AALDH1A1MAPTGAAMEN1
SCHEMBL7202654 0.61 MTNR1A (0.70) MTNR1AKMT2AMTNR1BALDH1A1MAPT
SCHEMBL12647712 0.61 KMT2A (0.66) KMT2AALDH1A1HSD17B10MAPTTSHR

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 465/4885KMT2A 1322/4885MTNR1B 414/4885
US-20050124682-A1 Substituted cyclic compounds CCNY, CCNT2, TECR MTNR1A 465/4885KMT2A 1322/4885MTNR1B 414/4885

“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.