SCHEMBL4559813

SCHEMBL4559813

C#CC#CN(C(=O)c1ccccc1)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.41
TDP1 Q9NUW8 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ADRA2C P18825 1/20 0.38
KMT2A Q03164 4/20 0.37
KDM4E B2RXH2 2/20 0.37
HPGD P15428 3/20 0.36
ALDH1A1 P00352 3/20 0.36
MEN1 O00255 2/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
LMNA P02545 1/20 0.36
NPSR1 Q6W5P4 1/20 0.35
NR3C2 P08235 1/20 0.35
MLYCD O95822 1/20 0.35
DAO P14920 1/20 0.34
TSHR P16473 1/20 0.34
NAPRT Q6XQN6 1/20 0.34
CES2 O00748 1/20 0.34

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
SCHEMBL4560019 0.82 L3MBTL1 (0.46) L3MBTL1TDP1RAB9ASMN1; SMN2ADRA2C
SCHEMBL14463252 0.79 RAB9A (0.43) L3MBTL1TDP1RAB9ASMN1; SMN2ADRA2C
SCHEMBL10910204 0.77 ALDH1A1 (0.51) TDP1RAB9ASMN1; SMN2KMT2AKDM4E
SCHEMBL10566627 0.76 L3MBTL1 (0.47) L3MBTL1TDP1RAB9ASMN1; SMN2ADRA2C
SCHEMBL11682975 0.74 SMN1; SMN2 (0.46) L3MBTL1TDP1RAB9ASMN1; SMN2ADRA2C
SCHEMBL3470051 0.68 HTT (0.57) TDP1RAB9AKMT2AALDH1A1GAA
SCHEMBL483415 0.67 NPSR1 (0.44) L3MBTL1TDP1RAB9ASMN1; SMN2KMT2A
SCHEMBL28381203 0.67 ADRA2C (0.54) L3MBTL1TDP1ADRA2CKMT2AHPGD
SCHEMBL10937900 0.66 L3MBTL1 (0.53) L3MBTL1TDP1RAB9ASMN1; SMN2ADRA2C
SCHEMBL1003807 0.66 NPSR1 (0.61) L3MBTL1TDP1RAB9ASMN1; SMN2ADRA2C

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-8084615-B2 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2011-12-27 US disclosed
US-20090163496-A1 ANTIBACTERIAL AGENTS UNIVERSITY OF WASHINGTON (US) 2009-06-25 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-20090163496-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS L3MBTL1 2665/4885TDP1 3892/4885RAB9A 557/4885

“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.