SCHEMBL3208231

SCHEMBL3208231

O=C(C1CCCN1C(=O)OCc1ccccc1)N(O)c1cccc(Br)c1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PREP P48147 4/20 0.53
NPSR1 Q6W5P4 1/20 0.51
GFER P55789 1/20 0.49
CTRB1 P17538 1/20 0.49
ALDH1A1 P00352 2/20 0.48
TSHR P16473 2/20 0.48
KMT2A Q03164 2/20 0.48
TP53 P04637 1/20 0.48
MEN1 O00255 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
KLK7 P49862 1/20 0.48
KLK5 Q9Y337 1/20 0.48
KDM4E B2RXH2 1/20 0.48
LMNA P02545 1/20 0.48

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
SCHEMBL206381 0.85 NPSR1 (0.54) PREPNPSR1GFERCTRB1ALDH1A1
SCHEMBL26364677 0.82 PREP (0.59) PREPNPSR1GFERCTRB1ALDH1A1
SCHEMBL4387236 0.80 PREP (0.54) PREPNPSR1GFERCTRB1ALDH1A1
SCHEMBL4392300 0.80 NPSR1 (0.69) PREPNPSR1GFERCTRB1ALDH1A1
SCHEMBL4388868 0.80 NPSR1 (0.69) PREPNPSR1GFERCTRB1ALDH1A1
SCHEMBL10756725 0.79 PREP (0.62) PREPNPSR1GFERCTRB1ALDH1A1
SCHEMBL489615 0.79 PREP (0.62) PREPNPSR1GFERCTRB1ALDH1A1
SCHEMBL10756717 0.79 PREP (0.62) PREPNPSR1GFERCTRB1ALDH1A1
SCHEMBL4386402 0.79 GFER (0.58) PREPNPSR1GFERCTRB1ALDH1A1
SCHEMBL5755965 0.78 PREP (0.54) PREPNPSR1GFERCTRB1ALDH1A1

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-20100055071-A1 Anti-Viral Compounds SMITHKLINE BEECHAM CORPORATION 2010-03-04 US disclosed
US-20080193411-A1 Anti-viral Compounds GENELABS TECHNOLOGIES, INC. 2008-08-14 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 (2 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-20080193411-A1 Anti-viral Compounds ZC3HAV1, ZC3HAV1L, SARS1 PREP 113/4885NPSR1 1912/4885GFER 4411/4885
US-20100055071-A1 Anti-Viral Compounds ZC3HAV1, ZC3HAV1L, SARS1 PREP 113/4885NPSR1 1912/4885GFER 4411/4885

“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.