SCHEMBL2852956

SCHEMBL2852956

S=[C]c1ccccc1SCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.55
MAOB P27338 3/20 0.42
MAOA P21397 2/20 0.42
HSD17B10 Q99714 1/20 0.41
KMT2A Q03164 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
PTPRC P08575 1/20 0.40
MEN1 O00255 1/20 0.39
TRPA1 O75762 2/20 0.37
MIF P14174 2/20 0.37
CYP2E1 P05181 1/20 0.37
CYP2A6 P11509 1/20 0.37
HIF1A Q16665 1/20 0.37
CYP2A13 Q16696 1/20 0.37
EPAS1 Q99814 1/20 0.37
HTT P42858 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CA12 O43570 2/20 0.36

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
SCHEMBL223271 0.81 POLB (0.55) POLBMAOBMAOAHSD17B10KMT2A
SCHEMBL4014797 0.81 MAOA (0.59) POLBMAOBMAOAHSD17B10KMT2A
SCHEMBL28101080 0.74 POLB (0.61) POLBHSD17B10KMT2AL3MBTL1PTPRC
SCHEMBL6504974 0.74 POLB (0.61) POLBMAOBMAOAHSD17B10KMT2A
SCHEMBL10679407 0.72 POLB (0.64) POLBMAOBMAOAHSD17B10KMT2A
SCHEMBL17223627 0.72 POLB (0.49) POLBMAOBMAOAHSD17B10KMT2A
SCHEMBL430583 0.71 POLB (0.63) POLBMAOBMAOAHSD17B10KMT2A
SCHEMBL3896275 0.71 POLB (1.00) POLBHSD17B10KMT2AL3MBTL1PTPRC
Isothiocyanate SCHEMBL6154795 0.69 MAOA (0.58) POLBMAOBMAOAHSD17B10KMT2A
SCHEMBL2929900 0.69 POLB (0.61) POLBMAOBMAOAHSD17B10KMT2A

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-7786079-B2 Substituted nonadepsipeptides AICURIS GMBH & CO. KG. (DE) 2010-08-31 US disclosed
EP-1809653-B1 SUBSTITUTED NONADEPSIPEPTIDES AICURIS GMBH & CO KG (DE) 2010-01-20 EP disclosed
US-20080058251-A1 Substituted nonadepsipeptides BAYER HEALTHCARE AG (DE) 2008-03-06 US disclosed
EP-1809653-A1 SUBSTITUTED NONADEPSIPEPTIDES AiCuris GmbH & Co. KG (DE) 2007-07-25 EP disclosed
WO-2006042654-A1 SUBSTITUTED NONADEPSIPEPTIDES AICURIS GMBH & CO. KG (DE) 2006-04-27 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 (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-20080058251-A1 Substituted nonadepsipeptides VIP, DNPEP, LNPEP POLB 2751/4885MAOB 3376/4885MAOA 3161/4885

“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.