SCHEMBL493233

SCHEMBL493233

COc1ccccc1-c1ncon1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 9/20 0.51
RAB9A P51151 8/20 0.51
NPC1 O15118 7/20 0.51
TP53 P04637 6/20 0.51
ALDH1A1 P00352 5/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
HSD17B10 Q99714 5/20 0.47
KDM4E B2RXH2 4/20 0.47
TSHR P16473 2/20 0.47
GAA P10253 2/20 0.47
HPGD P15428 2/20 0.47
NPSR1 Q6W5P4 2/20 0.47
PKM P14618 1/20 0.47
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
POLB P06746 1/20 0.44
RXFP1 Q9HBX9 1/20 0.43
APP P05067 1/20 0.43
S1PR1 P21453 2/20 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
SCHEMBL28309494 0.83 NPSR1 (0.49) SMN1; SMN2RAB9ANPC1ALDH1A1L3MBTL1
SCHEMBL21376048 0.76 TUBB4A (0.36) SMN1; SMN2RAB9ANPC1TP53ALDH1A1
SCHEMBL4337968 0.76 NPC1 (0.45) SMN1; SMN2RAB9ANPC1TP53ALDH1A1
SCHEMBL29603104 0.76 NCEH1 (0.40) SMN1; SMN2RAB9ANPC1ALDH1A1TSHR
SCHEMBL16790012 0.75 CYP1A2 (0.62) SMN1; SMN2RAB9ANPC1TP53ALDH1A1
SCHEMBL23066466 0.74 ALDH1A1 (0.61) SMN1; SMN2RAB9ANPC1TP53ALDH1A1
SCHEMBL15330585 0.73 ENPP2 (0.35) SMN1; SMN2RAB9ANPC1TP53ALDH1A1
SCHEMBL5607036 0.73 CASP6 (0.41) SMN1; SMN2RAB9ANPC1TP53ALDH1A1
SCHEMBL174453 0.72 CYP1A2 (0.54) SMN1; SMN2RAB9ANPC1TP53ALDH1A1
SCHEMBL1949784 0.72 RAB9A (0.43) SMN1; SMN2RAB9ANPC1TP53ALDH1A1

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

“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.