SCHEMBL493192

SCHEMBL493192

COc1ccccc1-c1noc(C(=O)NCC(=O)O)n1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.56
ALDH1A1 P00352 7/20 0.56
TSHR P16473 3/20 0.56
KMT2A Q03164 3/20 0.56
MEN1 O00255 1/20 0.56
RAB9A P51151 4/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
TP53 P04637 2/20 0.53
L3MBTL1 Q9Y468 2/20 0.53
HTT P42858 1/20 0.53
HPGD P15428 4/20 0.51
NPSR1 Q6W5P4 3/20 0.51
KDM4E B2RXH2 3/20 0.51
HSD17B10 Q99714 3/20 0.51
POLB P06746 1/20 0.50
PKM P14618 1/20 0.50
MAPT P10636 3/20 0.49
GAA P10253 2/20 0.49
LMNA P02545 1/20 0.49
THRB P10828 1/20 0.49

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
SCHEMBL493675 0.82 ALDH1A1 (0.64) NPC1ALDH1A1TSHRKMT2AMEN1
SCHEMBL493438 0.81 KMT2A (0.67) KMT2AHTTKDM4EPOLBMAPT
SCHEMBL493104 0.79 POLB (0.46) KMT2APOLB
SCHEMBL494415 0.75 TSHR (0.42) NPC1ALDH1A1TSHRKMT2AMEN1
SCHEMBL493286 0.75 FAAH (0.55) NPC1ALDH1A1TSHRKMT2ARAB9A
SCHEMBL6328368 0.75 ALDH1A1 (0.67) NPC1ALDH1A1TSHRKMT2AMEN1
SCHEMBL493024 0.74 CYP2C19 (0.47) NPC1ALDH1A1KMT2ARAB9ASMN1; SMN2
SCHEMBL492888 0.73 SHMT1 (0.48) NPC1ALDH1A1KMT2AMEN1RAB9A
SCHEMBL3667161 0.73 ALDH1A1 (0.59) NPC1ALDH1A1TSHRKMT2AMEN1
SCHEMBL493604 0.72 SMN1; SMN2 (0.74) NPC1KMT2AMEN1RAB9ASMN1; SMN2

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 519/4885ALDH1A1 1349/4885TSHR 4051/4885

“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.