SCHEMBL4239523

SCHEMBL4239523

O=C(NC(C(=O)NO)C(O)c1ccccc1)c1ccccc1-c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 5/20 0.47
CHRNA4 P43681 5/20 0.47
CHRNB4 P30926 4/20 0.47
CHRNA3 P32297 4/20 0.47
CLPP Q16740 2/20 0.46
ALDH1A1 P00352 3/20 0.42
HTT P42858 2/20 0.42
GAA P10253 1/20 0.42
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
HDAC9 Q9UKV0 1/20 0.41
HDAC5 Q9UQL6 1/20 0.41
MEN1 O00255 2/20 0.41

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
SCHEMBL403655 0.81 HPGDS (0.59) ALDH1A1HDAC3HDAC4HDAC1HDAC7
SCHEMBL2761357 0.75 TACR3 (0.60) CHRNB2CHRNA4CHRNB4CHRNA3ALDH1A1
SCHEMBL975666 0.74 CHRNB2 (0.67) CHRNB2CHRNA4CHRNB4CHRNA3ALDH1A1
SCHEMBL8696620 0.71 CHRNB2 (0.59) CHRNB2CHRNA4CHRNB4CHRNA3CLPP
SCHEMBL8089215 0.71 CHRNB2 (0.62) CHRNB2CHRNA4CHRNB4CHRNA3ALDH1A1
SCHEMBL3646326 0.70 BCAT2 (0.51) CHRNB2CHRNA4CHRNB4CHRNA3CLPP
SCHEMBL3642871 0.70 BCAT2 (0.51) CHRNB2CHRNA4CHRNB4CHRNA3CLPP
SCHEMBL3641311 0.70 BCAT2 (0.51) CHRNB2CHRNA4CHRNB4CHRNA3CLPP
SCHEMBL9831304 0.69 MMP3 (0.51) ALDH1A1HTTHDAC8MEN1KMT2A
SCHEMBL9831299 0.69 MMP3 (0.51) ALDH1A1HTTHDAC8MEN1KMT2A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090247506-A1 Antibacterial agents CHIRON CORPORATION 2009-10-01 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-20090247506-A1 Antibacterial agents MRPL21, SI, PGLS CHRNB2 4875/4885CHRNA4 4883/4885CHRNB4 4867/4885

“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.