SCHEMBL4679890

SCHEMBL4679890

N[C@@H](Cc1ccccc1)C(=O)NNC(=O)NCc1ccccc1Cl

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.56
RAB9A P51151 1/20 0.56
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
CASR P41180 1/20 0.50
ALDH1A1 P00352 3/20 0.48
L3MBTL1 Q9Y468 1/20 0.47
ANPEP P15144 1/20 0.46
LMNA P02545 2/20 0.46
OPRK1 P41145 1/20 0.46
KDM4E B2RXH2 1/20 0.45
MAPK1 P28482 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
ALPI P09923 1/20 0.44
PKM P14618 1/20 0.44
PTGS1 P23219 1/20 0.44
XIAP P98170 1/20 0.44
SLC7A5 Q01650 1/20 0.44

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
SCHEMBL4675953 1.00 NPC1 (0.56) NPC1RAB9AMEN1KMT2ACASR
SCHEMBL4677405 0.85 ALDH1A1 (0.60) NPC1RAB9AMEN1KMT2ACASR
SCHEMBL4678494 0.85 ALDH1A1 (0.60) NPC1RAB9AMEN1KMT2ACASR
SCHEMBL4677870 0.82 NPC1 (0.56) NPC1RAB9AMEN1KMT2ACASR
SCHEMBL4676691 0.82 ANPEP (0.61) NPC1RAB9AMEN1KMT2ACASR
SCHEMBL4675868 0.82 NPC1 (0.56) NPC1RAB9AMEN1KMT2ACASR
SCHEMBL4680602 0.82 ANPEP (0.61) NPC1RAB9AMEN1KMT2ACASR
SCHEMBL4680873 0.82 NPC1 (0.62) NPC1RAB9AMEN1KMT2ACASR
SCHEMBL4676140 0.82 NPC1 (0.62) NPC1RAB9AMEN1KMT2ACASR
SCHEMBL4676353 0.81 HTT (0.54) NPC1RAB9AMEN1KMT2ACASR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1633702-B1 PROTEASE INHIBITORS PROZYMEX AS (DK) 2008-07-02 EP claimed
US-20070155803-A1 Protease inhibitors PROZYMEX A/S (DK) 2007-07-05 US claimed
EP-1633702-A1 PROTEASE INHIBITORS Prozymex A/S (DK) 2006-03-15 EP claimed
WO-2004106289-A1 PROTEASE INHIBITORS PROZYMEX A/S (DK) 2004-12-09 WO claimed
EP-1975153-A2 Protease inhibitors Prozymex A/S (DK) 2008-10-01 EP disclosed
EP-1975153-A2 Protease inhibitors Prozymex A/S (DK) 2008-10-01 EP disclosed
EP-1633702-B1 PROTEASE INHIBITORS PROZYMEX AS (DK) 2008-07-02 EP disclosed
EP-1633702-B1 PROTEASE INHIBITORS PROZYMEX AS (DK) 2008-07-02 EP disclosed
US-20070155803-A1 Protease inhibitors PROZYMEX A/S (DK) 2007-07-05 US disclosed
US-20070155803-A1 Protease inhibitors PROZYMEX A/S (DK) 2007-07-05 US disclosed
US-20070155803-A1 Protease inhibitors PROZYMEX A/S (DK) 2007-07-05 US disclosed
EP-1633702-A1 PROTEASE INHIBITORS Prozymex A/S (DK) 2006-03-15 EP disclosed
WO-2004106289-A1 PROTEASE INHIBITORS PROZYMEX A/S (DK) 2004-12-09 WO disclosed
WO-2004106289-A1 PROTEASE INHIBITORS PROZYMEX A/S (DK) 2004-12-09 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-20070155803-A1 Protease inhibitors DPP7, DPP9, DPP3 NPC1 943/4885RAB9A 1434/4885MEN1 2989/4885

“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.