SCHEMBL4867166

SCHEMBL4867166

O=C(O)c1cccc(-c2nc(-c3ccc(OCCN4CCCC4)cc3)no2)c1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 3/20 0.53
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
KDR P35968 2/20 0.51
STAT3 P40763 1/20 0.49
CPT1A P50416 1/20 0.49
CPT1B Q92523 1/20 0.49
HRH3 Q9Y5N1 4/20 0.49
HRH4 Q9H3N8 3/20 0.49
KCNH2 Q12809 2/20 0.49
HRH1 P35367 1/20 0.49
TBK1 Q9UHD2 1/20 0.49
CXCR1 P25024 2/20 0.48
PSMB1 P20618 2/20 0.48
PSMB5 P28074 2/20 0.48
PSMB2 P49721 1/20 0.47
S1PR1 P21453 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
SCHEMBL12172008 0.83 S1PR1 (0.60) NPC1RAB9AL3MBTL1S1PR1
SCHEMBL4876056 0.82 NPC1 (0.56) NPC1RAB9AL3MBTL1S1PR1
SCHEMBL6193033 0.81 HAVCR2 (0.60) NPC1RAB9AL3MBTL1S1PR1
SCHEMBL4875581 0.81 NPC1 (0.54) NPC1RAB9AL3MBTL1CXCR1S1PR1
SCHEMBL14072336 0.79 NPC1 (0.61) NPC1RAB9AL3MBTL1S1PR1
SCHEMBL61028 0.78 NPC1 (0.60) NPC1RAB9AL3MBTL1S1PR1
SCHEMBL1430178 0.77 NR1H4 (0.68) NPC1RAB9AL3MBTL1S1PR1
SCHEMBL9942403 0.77 HRH3 (0.69) LTA4HHRH3
SCHEMBL12171569 0.76 NPC1 (0.76) NPC1RAB9AL3MBTL1
SCHEMBL18595108 0.75 HRH3 (0.71) LTA4HHRH3PSMB1PSMB5

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 LTA4H 1400/4885NPC1 620/4885RAB9A 2603/4885

“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.