SCHEMBL4875581

SCHEMBL4875581

CN(C)CCOc1ccc(-c2noc(-c3cccc(C(=O)O)c3)n2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.54
RAB9A P51151 4/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
NR1H4 Q96RI1 2/20 0.52
HAVCR2 Q8TDQ0 7/20 0.51
CXCR1 P25024 1/20 0.47
MAOA P21397 1/20 0.47
BLVRB P30043 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
TP53 P04637 1/20 0.46
NFKB1 P19838 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
BCHE P06276 1/20 0.46
ACHE P22303 1/20 0.46
KDM4E B2RXH2 2/20 0.46
S1PR1 P21453 2/20 0.46
HSD17B10 Q99714 1/20 0.46

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
SCHEMBL12172008 0.88 S1PR1 (0.60) NPC1RAB9AL3MBTL1NR1H4HAVCR2
SCHEMBL4876056 0.87 NPC1 (0.56) NPC1RAB9AL3MBTL1NR1H4HAVCR2
SCHEMBL6193033 0.85 HAVCR2 (0.60) NPC1RAB9AL3MBTL1NR1H4HAVCR2
SCHEMBL7958685 0.85 NR1H4 (0.62) NPC1RAB9ANR1H4CXCR1SMN1; SMN2
SCHEMBL14072336 0.84 NPC1 (0.61) NPC1RAB9AL3MBTL1NR1H4HAVCR2
SCHEMBL7962298 0.83 NPC1 (0.64) NPC1RAB9ANR1H4HAVCR2CXCR1
SCHEMBL61028 0.83 NPC1 (0.60) NPC1RAB9AL3MBTL1NR1H4MAOA
SCHEMBL1430178 0.82 NR1H4 (0.68) NPC1RAB9AL3MBTL1NR1H4HAVCR2
SCHEMBL4867166 0.81 LTA4H (0.53) NPC1RAB9AL3MBTL1CXCR1S1PR1
SCHEMBL12171569 0.79 NPC1 (0.76) NPC1RAB9AL3MBTL1NR1H4HAVCR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7432293-B2 Heterocyclic compounds useful as Nurr-1 activators NOVARTIS AG (CH) 2008-10-07 US disclosed
US-20060089365-A1 Heterocyclic compounds useful as nurr-1 activators NOVARTIS AG (CH) 2006-04-27 US disclosed
EP-1597243-A1 HETEROCYCLIC COMPOUNDS USEFUL AS NURR-1 ACTIVATORS Novartis AG (CH) 2005-11-23 EP disclosed
WO-2004072050-A1 HETEROCYCLIC COMPOUNDS USEFUL AS NURR-1 ACTIVATORS NOVARTIS AG (CH) 2004-08-26 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-20060089365-A1 Heterocyclic compounds useful as nurr-1 activators NCOR1, NCOR2, NR4A1 NPC1 620/4885RAB9A 2603/4885L3MBTL1 2456/4885

“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.