SCHEMBL6042771

SCHEMBL6042771

c1csc(COCCCOC2CCCCO2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.45
MEN1 O00255 3/20 0.45
KDM4C Q9H3R0 1/20 0.42
MAPK1 P28482 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
SLC6A3 Q01959 1/20 0.36
ALDH1A1 P00352 2/20 0.36
GAA P10253 1/20 0.36
POLB P06746 1/20 0.36
HSD17B10 Q99714 1/20 0.36
HPGD P15428 2/20 0.34
KDM4E B2RXH2 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HTT P42858 1/20 0.34
MAPT P10636 1/20 0.33
PDE8B O95263 1/20 0.32
HDAC3 O15379 1/20 0.32
HDAC1 Q13547 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
SCHEMBL6042775 1.00 KMT2A (0.45) KMT2AMEN1KDM4CMAPK1L3MBTL1
SCHEMBL2084894 0.86 KMT2A (0.47) KMT2AMEN1KDM4CL3MBTL1NPC1
SCHEMBL2987452 0.83 KDM4C (0.51) KMT2AMEN1KDM4CL3MBTL1NPC1
SCHEMBL10821993 0.78 MEN1 (0.50) KMT2AMEN1KDM4CL3MBTL1NPC1
SCHEMBL21069202 0.78 MEN1 (0.50) KMT2AMEN1KDM4CL3MBTL1NPC1
SCHEMBL21069187 0.78 MEN1 (0.50) KMT2AMEN1KDM4CL3MBTL1NPC1
SCHEMBL6041703 0.78 MEN1 (0.44) KMT2AMEN1KDM4CL3MBTL1NPC1
SCHEMBL6041708 0.78 MEN1 (0.44) KMT2AMEN1KDM4CL3MBTL1NPC1
SCHEMBL24574174 0.77 MEN1 (0.49) KMT2AMEN1KDM4CL3MBTL1NPC1
SCHEMBL21069119 0.77 MEN1 (0.52) KMT2AMEN1KDM4CL3MBTL1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060079533-A1 Methods of treating alzheimer's disease NIEMAN JAMES A 2006-04-13 US disclosed
EP-0863875-B1 NEW 4-(OXYALKOXYPHENYL)-3-OXY-PIPERIDINES FOR TREATING HEART AND KIDNEY INSUFFICIENCY HOFFMANN LA ROCHE (CH) 2003-06-04 EP disclosed
WO-2002076440-A2 METHODS OF TREATING ALZHEIMER'S DISEASE WITH PIPERIDIN DERIVATES ELAN PHARMACEUTICALS, INC. (US) 2002-10-03 WO disclosed
US-6150526-A Piperidine derivative having renin inhibiting activity HOFFMANN-LA ROCHE INC. (US) 2000-11-21 US disclosed
US-6051712-A PREVENTION OF HIGH BLOOD PRESSURE AND CARDIAC INSUFFICIENCY, AS WELL AS GLAUCOMA, CARDIAC INFARCT, KIDNEY INSUFFICIENCY AND RESTENOSIS HOFFMANN-LA ROCHE INC. (US) 2000-04-18 US disclosed
EP-0863875-A1 NEW 4-(OXYALKOXYPHENYL)-3-OXY-PIPERIDINES FOR TREATING HEART AND KIDNEY INSUFFICIENCY F. HOFFMANN-LA ROCHE AG (CH) 1998-09-16 EP disclosed
WO-1997009311-A1 NEW 4-(OXYALKOXYPHENYL)-3-OXY-PIPERIDINES FOR TREATING HEART AND KIDNEY INSUFFICIENCY F. HOFFMANN-LA ROCHE AG (CH) 1997-03-13 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-20060079533-A1 Methods of treating alzheimer's disease BACE1, PSEN1, PSEN2 KMT2A 2702/4885MEN1 2561/4885KDM4C 1674/4885

“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.