SCHEMBL2399463

SCHEMBL2399463

COc1ccc(C(=O)Nc2ccc(CC(N)C(=O)NCC(=O)O)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.56
RAB9A P51151 3/20 0.56
TP53 P04637 1/20 0.56
ALOX15 P16050 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
KDM4E B2RXH2 1/20 0.51
ALDH1A1 P00352 1/20 0.51
CYP1A2 P05177 1/20 0.51
HIF1A Q16665 1/20 0.50
EPAS1 Q99814 1/20 0.50
MEN1 O00255 1/20 0.49
MAPT P10636 1/20 0.49
KMT2A Q03164 1/20 0.49
METAP2 P50579 1/20 0.48
POLB P06746 2/20 0.48
LMNA P02545 1/20 0.48
NAMPT P43490 1/20 0.48
HDAC1 Q13547 2/20 0.48
HDAC6 Q9UBN7 2/20 0.48
CTDSP1 Q9GZU7 1/20 0.47

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
SCHEMBL2400620 0.87 NPC1 (0.52) NPC1RAB9ATP53SMN1; SMN2ALDH1A1
SCHEMBL19234471 0.86 NPC1 (0.64) NPC1RAB9ATP53ALOX15SMN1; SMN2
SCHEMBL2399552 0.86 ITGB3 (0.51) KDM4EALDH1A1MEN1MAPTKMT2A
SCHEMBL19234478 0.86 NPC1 (0.64) NPC1RAB9ATP53ALOX15SMN1; SMN2
SCHEMBL2401963 0.81 KMT2A (0.53) NPC1RAB9ASMN1; SMN2ALDH1A1MEN1
SCHEMBL11120483 0.81 RAB9A (0.59) NPC1RAB9ASMN1; SMN2ALDH1A1CYP1A2
SCHEMBL10934168 0.79 LMNA (0.54) NPC1RAB9ASMN1; SMN2ALDH1A1CYP1A2
SCHEMBL20715740 0.78 NPC1 (0.71) NPC1RAB9ATP53ALOX15SMN1; SMN2
SCHEMBL6665555 0.77 KMT2A (0.65) RAB9ASMN1; SMN2ALDH1A1MAPTKMT2A
SCHEMBL7039856 0.77 HDAC8 (0.66) NPC1RAB9ASMN1; SMN2ALDH1A1HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130225644-A1 MODIFIED LYSINE-MIMETIC COMPOUNDS ZEALAND PHARMA A/S (DK) 2013-08-29 US disclosed
US-8431540-B2 Modified lysine-mimetic compounds ZEALAND PHARMA A/S (DK) 2013-04-30 US disclosed
US-20120245106-A1 MODIFIED LYSINE-MIMETIC COMPOUNDS ZEALAND PHARMA A/S (DK) 2012-09-27 US disclosed
EP-2386539-A2 Modified lysine-mimetic compounds Zealand Pharma A/S (DK) 2011-11-16 EP disclosed
US-D647202-S1 Bone marrow harvesting device WARSAW ORTHOPEDIC, INC. (US) 2011-10-18 US disclosed
US-8026272-B2 Modified lysine-mimetic compounds ZEALAND PHARMA A/S (DK) 2011-09-27 US disclosed
US-20100249206-A1 MODIFIED LYSINE-MIMETIC COMPOUNDS Zealand Pharma A/S and Wyeth 2010-09-30 US disclosed
US-7622496-B2 antiarrhythmia agents; 1-(2-Amino-acetyl)-4-(benzoylamino)-pyrrolidine-2-carboxylic acid; desirable bioavailability properties ZEALAND PHARMA A/S (DK) 2009-11-24 US disclosed
CN-101336229-A Modified lysine-mimetic compounds ZEALAND PHARMA AS (DK) 2008-12-31 CN disclosed
EP-1966130-A2 MODIFIED LYSINE-MIMETIC COMPOUNDS Zealand Pharma A/S (DK) 2008-09-10 EP disclosed
WO-2007078990-A2 MODIFIED LYSINE-MIMETIC COMPOUNDS ZEALAND PHARMA A/S (DK) 2007-07-12 WO disclosed
US-20070149460-A1 Modified lysine-mimetic compounds ZEALAND PHARMA A/S (DK) 2007-06-28 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 (4 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-20120245106-A1 MODIFIED LYSINE-MIMETIC COMPOUNDS MYLK2, KCNN2, KCNN1 NPC1 2300/4885RAB9A 1585/4885TP53 4350/4885
US-20130225644-A1 MODIFIED LYSINE-MIMETIC COMPOUNDS MYLK2, KCNN2, KCNN1 NPC1 2300/4885RAB9A 1585/4885TP53 4350/4885
US-20100249206-A1 MODIFIED LYSINE-MIMETIC COMPOUNDS MYLK2, KCNN2, KCNN1 NPC1 2300/4885RAB9A 1585/4885TP53 4350/4885
US-20070149460-A1 Modified lysine-mimetic compounds MYLK2, KCNN2, KCNN1 NPC1 2300/4885RAB9A 1585/4885TP53 4350/4885

“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.