SCHEMBL553127

SCHEMBL553127

NC(=O)c1cc(Br)cc(C=O)c1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.47
PARP10 Q53GL7 1/20 0.42
PARP3 Q9Y6F1 1/20 0.42
ALDH1A1 P00352 5/20 0.41
UNG P13051 1/20 0.37
AKR1C3 P42330 1/20 0.36
TSHR P16473 2/20 0.36
APOBEC3A P31941 1/20 0.36
HTT P42858 1/20 0.36
APOBEC3G Q9HC16 1/20 0.36
MAPK1 P28482 1/20 0.36
ERN1 O75460 3/20 0.35
NCOA1 Q15788 1/20 0.35
NCOA3 Q9Y6Q9 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
CYP3A4 P08684 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL16961939 0.82 PARP1 (0.46) PARP1ALDH1A1AKR1C3TSHRAPOBEC3A
SCHEMBL1175057 0.82 UNG (0.52) ALDH1A1UNGAKR1C3TSHRHTT
SCHEMBL1824174 0.80 PARP1 (0.60) PARP1ALDH1A1TSHRAPOBEC3AHTT
SCHEMBL1006449 0.80 PARP1 (0.60) PARP1ALDH1A1TSHRAPOBEC3AHTT
SCHEMBL20127846 0.78 DHODH (0.47) PARP10PARP3UNGERN1SMN1; SMN2
SCHEMBL29951362 0.78 PARP10 (0.47) PARP1PARP10PARP3UNGERN1
SCHEMBL24160674 0.76 PARP10 (0.42) PARP1PARP10PARP3ALDH1A1UNG
SCHEMBL15653007 0.76 PARP1 (0.47) PARP1PARP10PARP3ALDH1A1UNG
SCHEMBL30897202 0.76 PARP1 (0.47) PARP1PARP10PARP3ALDH1A1UNG
SCHEMBL15128818 0.76 PARP1 (0.47) PARP1PARP10PARP3ALDH1A1UNG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10440955-B2 Methods comprising a biocidal polyamine CURZA GLOBAL, LLC (US) 2019-10-15 US disclosed
US-20180125070-A1 COMPOSITIONS AND METHODS COMPRISING A BIOCIDAL POLYAMINE THE UNIVERSITY OF UTAH 2018-05-10 US disclosed
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 (4 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 PARP1 1033/4885PARP10 412/4885PARP3 711/4885
US-20090143372-A1 CHEMICAL COMPOUNDS IKBKG, NFKBIA, RELA PARP1 1033/4885PARP10 412/4885PARP3 711/4885
US-10440955-B2 Methods comprising a biocidal polyamine SRM, SMOX, SMS PARP1 106/4885PARP10 200/4885PARP3 170/4885
US-20180125070-A1 COMPOSITIONS AND METHODS COMPRISING A BIOCIDAL POLYAMINE SRM, SMOX, SMS PARP1 116/4885PARP10 262/4885PARP3 196/4885

“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.