SCHEMBL3208219

SCHEMBL3208219

O=C(Nc1cc(Br)ccc1O)C1CCCN1C(=O)OCc1ccccc1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GFER P55789 1/20 0.79
ALDH1A1 P00352 2/20 0.64
TSHR P16473 3/20 0.63
L3MBTL1 Q9Y468 1/20 0.63
KMT2A Q03164 2/20 0.62
TP53 P04637 1/20 0.62
MEN1 O00255 1/20 0.62
NPSR1 Q6W5P4 1/20 0.61
KDM4E B2RXH2 1/20 0.58
LMNA P02545 1/20 0.58
HSD17B10 Q99714 1/20 0.57
KDM1A O60341 1/20 0.56
RCOR1 Q9UKL0 1/20 0.56
CTRB1 P17538 1/20 0.55
CYP3A4 P08684 1/20 0.53
MAPT P10636 1/20 0.53
CYP2C9 P11712 1/20 0.53
RAB9A P51151 1/20 0.53
PREP P48147 2/20 0.52
SMN1; SMN2 Q16637 1/20 0.51

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
SCHEMBL3216457 1.00 GFER (0.79) GFERALDH1A1TSHRL3MBTL1KMT2A
SCHEMBL17055670 0.89 GFER (0.64) GFERALDH1A1TSHRL3MBTL1KMT2A
SCHEMBL10222796 0.89 GFER (0.64) GFERALDH1A1TSHRL3MBTL1KMT2A
SCHEMBL13424972 0.89 GFER (0.69) GFERALDH1A1TSHRL3MBTL1KMT2A
SCHEMBL13456105 0.89 TSHR (0.66) GFERALDH1A1TSHRL3MBTL1KMT2A
SCHEMBL10082579 0.88 GFER (0.61) GFERALDH1A1TSHRL3MBTL1KMT2A
SCHEMBL4387231 0.87 ALDH1A1 (0.65) GFERALDH1A1TSHRL3MBTL1KMT2A
SCHEMBL12332120 0.87 ALDH1A1 (0.65) GFERALDH1A1TSHRL3MBTL1KMT2A
SCHEMBL13588905 0.87 ALDH1A1 (0.65) GFERALDH1A1TSHRL3MBTL1KMT2A
SCHEMBL14948378 0.87 ALDH1A1 (0.64) GFERALDH1A1TSHRL3MBTL1KMT2A

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 4 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
EP-2097405-A2 ANTI-VIRAL COMPOUNDS Smithkline Beecham Corporation (US) 2009-09-09 EP disclosed
US-20080193411-A1 Anti-viral Compounds GENELABS TECHNOLOGIES, INC. 2008-08-14 US disclosed
WO-2008070447-A2 ANTI-VIRAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2008-06-12 WO 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 GFER 4411/4885ALDH1A1 1766/4885TSHR 3713/4885
US-20100055071-A1 Anti-Viral Compounds ZC3HAV1, ZC3HAV1L, SARS1 GFER 4411/4885ALDH1A1 1766/4885TSHR 3713/4885

“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.