SCHEMBL493896

SCHEMBL493896

O=C(O)CCNC(=O)c1nc(-c2ccccn2)no1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.56
CES1 P23141 1/20 0.56
NCEH1 Q6PIU2 1/20 0.56
DAGLA Q9Y4D2 1/20 0.56
RAB9A P51151 8/20 0.47
SMN1; SMN2 Q16637 8/20 0.47
NPC1 O15118 7/20 0.47
PKM P14618 4/20 0.47
TP53 P04637 3/20 0.47
KMT2A Q03164 3/20 0.47
LMNA P02545 3/20 0.47
ALDH1A1 P00352 3/20 0.46
MAPT P10636 2/20 0.45
KDM4E B2RXH2 2/20 0.45
TSHR P16473 2/20 0.45
HPGD P15428 1/20 0.45
KLF5 Q13887 1/20 0.45
HSD17B10 Q99714 1/20 0.45
GRM5 P41594 1/20 0.44
HPGDS O60760 1/20 0.43

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
SCHEMBL493286 0.88 FAAH (0.55) FAAHCES1NCEH1DAGLARAB9A
SCHEMBL493279 0.79 FAAH (0.61) FAAHCES1NCEH1DAGLARAB9A
SCHEMBL493260 0.76 SMN1; SMN2 (0.75) DAGLARAB9ASMN1; SMN2NPC1PKM
SCHEMBL3517537 0.76 NPC1 (0.68) FAAHCES1NCEH1DAGLARAB9A
SCHEMBL2162094 0.75 NPC1 (0.54) FAAHCES1NCEH1DAGLARAB9A
SCHEMBL29517879 0.75 KMT2A (0.62) RAB9ASMN1; SMN2NPC1PKMKMT2A
SCHEMBL5717831 0.73 NPC1 (0.70) FAAHCES1NCEH1DAGLARAB9A
SCHEMBL493476 0.72 FABP4 (0.48) RAB9ASMN1; SMN2NPC1KMT2AMAPT
SCHEMBL4034138 0.72 NPC1 (0.65) RAB9ASMN1; SMN2NPC1PKMTP53
SCHEMBL12398575 0.72 CES1 (0.73) FAAHCES1NCEH1DAGLARAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8106055-B2 Substituted amide compounds GRUENENTHAL GMBH (DE) 2012-01-31 US disclosed
US-20080306084-A1 Substituted Amide Compounds GRUENENTHAL GMBH (DE) 2008-12-11 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-20080306084-A1 Substituted Amide Compounds OPRK1, NAA50, ACMSD FAAH 6/4885CES1 957/4885NCEH1 2193/4885

“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.