SCHEMBL494360

SCHEMBL494360

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

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.53
NPC1 O15118 8/20 0.51
RAB9A P51151 8/20 0.51
SMN1; SMN2 Q16637 3/20 0.50
KDM4E B2RXH2 3/20 0.50
MAPK1 P28482 1/20 0.50
TP53 P04637 1/20 0.50
MEN1 O00255 1/20 0.49
PKM P14618 1/20 0.49
KMT2A Q03164 1/20 0.49
MAPT P10636 3/20 0.48
LMNA P02545 1/20 0.48
FAAH O00519 1/20 0.46
ALDH1A1 P00352 2/20 0.46
HPGD P15428 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
SCHEMBL493533 0.89 NPC1 (0.51) TSHRNPC1RAB9ASMN1; SMN2TP53
SCHEMBL493598 0.82 NPC1 (0.58) TSHRNPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL493438 0.79 KMT2A (0.67) KDM4EKMT2AMAPT
SCHEMBL1599746 0.76 MAPK1 (0.83) NPC1RAB9ASMN1; SMN2KDM4EMAPK1
SCHEMBL2788308 0.76 MAPK1 (0.83) NPC1RAB9ASMN1; SMN2KDM4EMAPK1
SCHEMBL493603 0.75 KMT2A (0.44) TSHRSMN1; SMN2KDM4ETP53KMT2A
SCHEMBL494155 0.75 SMN1; SMN2 (0.69) SMN1; SMN2KDM4EPKMKMT2AMAPT
SCHEMBL493052 0.75 KDM4E (0.73) TSHRNPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL27817050 0.74 MAPK1 (0.81) NPC1RAB9ASMN1; SMN2KDM4EMAPK1
SCHEMBL7659381 0.71 KDM4E (0.49) TSHRNPC1RAB9ASMN1; SMN2KDM4E

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 TSHR 4051/4885NPC1 519/4885RAB9A 2004/4885

“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.