SCHEMBL863481

SCHEMBL863481

NCc1nnc(-c2ccc(OCc3ccccc3)cc2)o1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.65
RAB9A P51151 7/20 0.62
SMN1; SMN2 Q16637 5/20 0.62
POLB P06746 4/20 0.62
NPC1 O15118 4/20 0.62
ALDH1A1 P00352 3/20 0.62
MAPT P10636 4/20 0.59
TP53 P04637 3/20 0.55
HPGD P15428 4/20 0.55
GAA P10253 3/20 0.55
LMNA P02545 2/20 0.55
HTT P42858 2/20 0.55
CASP3 P42574 1/20 0.55
SENP8 Q96LD8 1/20 0.55
SENP7 Q9BQF6 1/20 0.55
SENP6 Q9GZR1 1/20 0.55
MAOB P27338 2/20 0.53
KDM4E B2RXH2 2/20 0.51
TSHR P16473 1/20 0.51
GPR55 Q9Y2T6 1/20 0.51

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
SCHEMBL29241778 0.86 ALDH1A1 (0.65) NOTUMRAB9ASMN1; SMN2POLBNPC1
SCHEMBL8281630 0.85 MAPT (0.69) RAB9ASMN1; SMN2POLBNPC1ALDH1A1
SCHEMBL29032391 0.83 KDM4E (0.64) NOTUMRAB9ASMN1; SMN2POLBNPC1
SCHEMBL27332365 0.80 NOTUM (0.52) NOTUMRAB9ASMN1; SMN2POLBNPC1
SCHEMBL4652480 0.80 NOTUM (1.00) NOTUMRAB9ASMN1; SMN2POLBNPC1
SCHEMBL12473336 0.80 HDAC8 (0.57) RAB9ASMN1; SMN2POLBNPC1ALDH1A1
SCHEMBL29241751 0.80 SMN1; SMN2 (0.51) RAB9ASMN1; SMN2POLBNPC1ALDH1A1
SCHEMBL864263 0.79 HPGD (0.54) RAB9ASMN1; SMN2POLBNPC1ALDH1A1
SCHEMBL655468 0.77 RAB9A (0.80) NOTUMRAB9ASMN1; SMN2POLBNPC1
SCHEMBL12171570 0.77 NR4A2 (0.70) RAB9ASMN1; SMN2POLBNPC1ALDH1A1

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
EP-2621278-A1 ALPHA-KETOAMIDE DERIVATIVES USEFUL ENDOTHELIAL LIPASE INHIBITORS Janssen Pharmaceutica, N.V. (BE) 2013-08-07 EP disclosed
US-8476302-B2 α-ketoamide derivatives useful endothelial lipase inhibitors JANSSEN PHARMACEUTICA N.V. (BE) 2013-07-02 US disclosed
WO-2012047580-A1 ALPHA-KETOAMIDE DERIVATIVES USEFUL ENDOTHELIAL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2012-04-12 WO disclosed
US-20120077847-A1 ALPHA-KETOAMIDE DERIVATIVES USEFUL ENDOTHELIAL LIPASE INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2012-03-29 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 (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-20120077847-A1 ALPHA-KETOAMIDE DERIVATIVES USEFUL ENDOTHELIAL LIPASE INHIBITORS LIPG, LIPA, LIPE NOTUM 53/4885RAB9A 3119/4885SMN1; SMN2 4361/4885

“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.