SCHEMBL6152078

SCHEMBL6152078

Cc1ccnc(NC2CC(C)(c3cc4ccccc4o3)OC2=O)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 8/20 0.46
RAB9A P51151 8/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
NFKB1 P19838 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
ALDH1A1 P00352 5/20 0.40
TDP1 Q9NUW8 1/20 0.36
KDM4E B2RXH2 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
LMNA P02545 3/20 0.34
KMT2A Q03164 2/20 0.34
POLB P06746 1/20 0.34
MAPK8 P45983 1/20 0.33
GSK3A P49840 1/20 0.33
MAPK10 P53779 1/20 0.33
HIPK1 Q86Z02 1/20 0.33
RIOK2 Q9BVS4 1/20 0.33
SNRK Q9NRH2 1/20 0.33
TP53 P04637 1/20 0.33

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
SCHEMBL6152449 0.87 PHGDH (0.35) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL6152450 0.79 ALDH1A1 (0.40) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL6152033 0.77 ALDH1A1 (0.40) NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL6153174 0.76 KDM4E (0.47) NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL6152445 0.76 ALDH1A1 (0.40) NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL6152057 0.76 MEN1 (0.41) NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL6152448 0.74 ALDH1A1 (0.44) NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL6152046 0.74 ALDH1A1 (0.44) NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL6152911 0.73 ALDH1A1 (0.40) NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL6152267 0.73 NPC1 (0.47) NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6943181-B2 Use of substituted gamma-lactone compounds as pharmaceutical preparations GRUNENTHAL GMBH (DE) 2005-09-13 US claimed
EP-1406610-B1 USE OF SUBSTITUTED GAMMA-LACTONE COMPOUNDS AS MEDICAMENTS GRUENENTHAL GMBH (DE) 2005-01-26 EP claimed
US-20040176394-A1 Use of substituted gamma-lactone compounds as pharmaceutical preparations GRUNENTHAL GMBH (DE) 2004-09-09 US claimed
EP-1406610-A1 USE OF SUBSTITUTED GAMMA-LACTONE COMPOUNDS AS MEDICAMENTS Grünenthal GmbH (DE) 2004-04-14 EP claimed
WO-2003004016-A1 USE OF SUBSTITUTED GAMMA-LACTONE COMPOUNDS AS MEDICAMENTS Grünenthal GmbH (DE) 2003-01-16 WO claimed
US-6943181-B2 Use of substituted gamma-lactone compounds as pharmaceutical preparations GRUNENTHAL GMBH (DE) 2005-09-13 US disclosed
EP-1406610-B1 USE OF SUBSTITUTED GAMMA-LACTONE COMPOUNDS AS MEDICAMENTS GRUENENTHAL GMBH (DE) 2005-01-26 EP disclosed
US-20040176394-A1 Use of substituted gamma-lactone compounds as pharmaceutical preparations GRUNENTHAL GMBH (DE) 2004-09-09 US disclosed
EP-1406610-A1 USE OF SUBSTITUTED GAMMA-LACTONE COMPOUNDS AS MEDICAMENTS Grünenthal GmbH (DE) 2004-04-14 EP disclosed
WO-2003004016-A1 USE OF SUBSTITUTED GAMMA-LACTONE COMPOUNDS AS MEDICAMENTS Grünenthal GmbH (DE) 2003-01-16 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-20040176394-A1 Use of substituted gamma-lactone compounds as pharmaceutical preparations BACE1, MYC, APP NPC1 2247/4885RAB9A 3823/4885SMN1; SMN2 1154/4885

“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.