SCHEMBL552230

SCHEMBL552230

O=C(NCc1ccc(B(O)O)cc1)c1ccco1

nearest known ligand 0.71

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.65
HPGD P15428 1/20 0.65
MEN1 O00255 2/20 0.59
KMT2A Q03164 2/20 0.59
TRPV1 Q8NER1 4/20 0.56
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
APEX1 P27695 1/20 0.54
CYP2C19 P33261 1/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
PKM P14618 2/20 0.54
CTDSP1 Q9GZU7 1/20 0.52
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
MAPT P10636 2/20 0.52
LMNA P02545 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.51
BLM P54132 1/20 0.50
KDM4E B2RXH2 1/20 0.50

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
SCHEMBL5123738 0.84 ALDH1A1 (0.77) ALDH1A1HPGDMEN1KMT2ACYP1A2
SCHEMBL18906018 0.81 ALDH1A1 (0.69) ALDH1A1HPGDMEN1KMT2ACYP1A2
SCHEMBL16266238 0.79 ALDH1A1 (1.00) ALDH1A1HPGDMEN1KMT2ACYP1A2
SCHEMBL29190985 0.78 ALDH1A1 (0.63) ALDH1A1HPGDMEN1KMT2ACYP1A2
SCHEMBL26644596 0.78 ALDH1A1 (0.68) ALDH1A1HPGDMEN1KMT2ANPC1
SCHEMBL7076501 0.77 MAPT (0.68) ALDH1A1HPGDMEN1KMT2ACYP1A2
SCHEMBL387445 0.76 TRPV1 (0.83) HPGDTRPV1CTDSP1RAB9ALMNA
SCHEMBL17339425 0.76 TRPV1 (0.83) HPGDTRPV1
SCHEMBL3095669 0.76 ALDH1A1 (0.70) ALDH1A1HPGDMEN1KMT2ASMN1; SMN2
SCHEMBL2933285 0.75 TDP1 (0.69) ALDH1A1HPGDCYP1A2CYP2C19SMN1; 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8354406-B2 Chemical compounds GLAXOSMITHKLINE LLC (US) 2013-01-15 US disclosed
US-20120035164-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC 2012-02-09 US disclosed
US-8063071-B2 Chemical compounds GlaxoSmithKline, LLC (US) 2011-11-22 US disclosed
US-20090143372-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC 2009-06-04 US disclosed
EP-1896014-A2 CHEMICAL COMPOUNDS Smithkline Beecham Corporation (US) 2008-03-12 EP disclosed
WO-2007005534-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2007-01-11 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-20120035164-A1 CHEMICAL COMPOUNDS IKBKG, NFKBIA, RELA ALDH1A1 2634/4885HPGD 1795/4885MEN1 4042/4885
US-20090143372-A1 CHEMICAL COMPOUNDS IKBKG, NFKBIA, RELA ALDH1A1 2634/4885HPGD 1795/4885MEN1 4042/4885

“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.