SCHEMBL493533

SCHEMBL493533

O=C(O)CCNC(=O)c1nc(-c2ccc3c(c2)OCO3)no1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.51
RAB9A P51151 5/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
TP53 P04637 1/20 0.51
TSHR P16473 1/20 0.51
LMNA P02545 1/20 0.49
MAPT P10636 1/20 0.49
MEN1 O00255 1/20 0.47
PKM P14618 1/20 0.47
KMT2A Q03164 1/20 0.47
FAAH O00519 1/20 0.45

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
SCHEMBL494360 0.89 TSHR (0.53) NPC1RAB9ASMN1; SMN2TP53TSHR
SCHEMBL493598 0.81 NPC1 (0.58) NPC1RAB9ASMN1; SMN2TP53TSHR
SCHEMBL493923 0.80 KMT2A (0.65) MAPTKMT2A
SCHEMBL493476 0.76 FABP4 (0.48) NPC1RAB9ASMN1; SMN2TSHRMAPT
SCHEMBL493611 0.76 SMYD3 (0.43) NPC1RAB9ASMN1; SMN2TP53TSHR
SCHEMBL494598 0.74 LMNA (0.44) NPC1RAB9ASMN1; SMN2TSHRLMNA
SCHEMBL493217 0.70 GCGR (0.49)
SCHEMBL493896 0.70 FAAH (0.56) NPC1RAB9ASMN1; SMN2TP53TSHR
SCHEMBL493260 0.70 SMN1; SMN2 (0.75) NPC1RAB9ASMN1; SMN2TP53LMNA
SCHEMBL15436312 0.69 NPC1 (0.82) NPC1RAB9ASMN1; SMN2TP53TSHR

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 NPC1 519/4885RAB9A 2004/4885SMN1; SMN2 1729/4885

“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.