SCHEMBL728368

SCHEMBL728368

COc1ccc(C(=O)CC(SC2CCCCC2)C(=O)O)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.49
NPC1 O15118 3/20 0.49
RAB9A P51151 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
MDM2 Q00987 1/20 0.49
MAPT P10636 4/20 0.46
BCL2L1 Q07817 1/20 0.46
MCL1 Q07820 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
POLB P06746 2/20 0.43
HTT P42858 2/20 0.43
RECQL P46063 1/20 0.43
LMNA P02545 2/20 0.42
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
GSK3B P49841 1/20 0.42
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42

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
SCHEMBL727047 0.84 BCL2L1 (0.48) ALDH1A1RAB9ASMN1; SMN2MAPTBCL2L1
SCHEMBL229513 0.83 BCL2L1 (0.63) ALDH1A1MAPTBCL2L1MCL1POLB
SCHEMBL230940 0.82 ALDH1A1 (0.56) ALDH1A1NPC1RAB9AMAPTBCL2L1
SCHEMBL10913307 0.78 L3MBTL1 (0.54) ALDH1A1NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL3104440 0.76 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2MAPTBCL2L1MCL1
SCHEMBL728315 0.76 ALDH1A1 (0.71) ALDH1A1NPC1RAB9AMAPTBCL2L1
SCHEMBL10918344 0.76 HDAC3 (0.55) ALDH1A1NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL728360 0.75 KMT2A (0.55) ALDH1A1NPC1RAB9ASMN1; SMN2BCL2L1
SCHEMBL726528 0.74 ALDH1A1 (0.63) ALDH1A1NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL5197841 0.74 ALDH1A1 (0.50) ALDH1A1NPC1RAB9ASMN1; 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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4813800-B2 2011-11-09 JP claimed
US-7727977-B2 Kynurenine 3-hydroxylase inhibitors for the treatment of diabetes MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2010-06-01 US claimed
EP-1581215-B1 KYNURENINE 3-HYDROXYLASE INHIBITORS FOR THE TREATMENT OF DIABETES MERCK PATENT GMBH (DE) 2010-02-17 EP claimed
US-20060142358-A1 Kynurenine 3-hydroxylase inhibitors for the treatment of diabetes MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2006-06-29 US claimed
EP-1581215-A1 KYNURENINE 3-HYDROXYLASE INHIBITORS FOR THE TREATMENT OF DIABETES MERCK PATENT GmbH (DE) 2005-10-05 EP claimed
EP-1581216-A1 KYNURENINE 3-HYDROXYLASE INHIBITORS FOR THE TREATMENT OF DIABETES BY INCREASING THE NUMBER OF ISLETS OF LANGERHANS CELLS MERCK PATENT GmbH (DE) 2005-10-05 EP claimed
WO-2004060368-A1 KYNURENINE 3-HYDROXYLASE INHIBITORS FOR THE TREATMENT OF DIABETES BY INCREASING THE NUMBER OF ISLETS OF LANGERHANS CELLS MERCK PATENT GMBH (DE) 2004-07-22 WO claimed
WO-2004060369-A1 KYNURENINE 3-HYDROXYLASE INHIBITORS FOR THE TREATMENT OF DIABETES MERCK PATENT GMBH (DE) 2004-07-22 WO claimed
US-7727977-B2 Kynurenine 3-hydroxylase inhibitors for the treatment of diabetes MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2010-06-01 US disclosed
EP-1581215-B1 KYNURENINE 3-HYDROXYLASE INHIBITORS FOR THE TREATMENT OF DIABETES MERCK PATENT GMBH (DE) 2010-02-17 EP disclosed
US-20060142358-A1 Kynurenine 3-hydroxylase inhibitors for the treatment of diabetes MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2006-06-29 US disclosed
US-20060052456-A1 Kynurenine 3-hydroxylase inhibitors for the treatment of diabetes by increasing the number of islets of langerhans cells MERCK PATENT GMBH (DE) 2006-03-09 US disclosed
EP-1581215-A1 KYNURENINE 3-HYDROXYLASE INHIBITORS FOR THE TREATMENT OF DIABETES MERCK PATENT GmbH (DE) 2005-10-05 EP disclosed
EP-1581216-A1 KYNURENINE 3-HYDROXYLASE INHIBITORS FOR THE TREATMENT OF DIABETES BY INCREASING THE NUMBER OF ISLETS OF LANGERHANS CELLS MERCK PATENT GmbH (DE) 2005-10-05 EP disclosed
WO-2004060368-A1 KYNURENINE 3-HYDROXYLASE INHIBITORS FOR THE TREATMENT OF DIABETES BY INCREASING THE NUMBER OF ISLETS OF LANGERHANS CELLS MERCK PATENT GMBH (DE) 2004-07-22 WO disclosed
WO-2004060369-A1 KYNURENINE 3-HYDROXYLASE INHIBITORS FOR THE TREATMENT OF DIABETES MERCK PATENT GMBH (DE) 2004-07-22 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-20060052456-A1 Kynurenine 3-hydroxylase inhibitors for the treatment of diabetes by increasing the number of islets of langerhans cells KYNU, KMO, IDO1 ALDH1A1 1018/4885NPC1 3769/4885RAB9A 4277/4885
US-20060142358-A1 Kynurenine 3-hydroxylase inhibitors for the treatment of diabetes KYNU, KMO, AADAT ALDH1A1 705/4885NPC1 3230/4885RAB9A 4530/4885

“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.