SCHEMBL4746640

SCHEMBL4746640

O=C(CCCCBr)Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCL9 O00512 1/20 0.68
CTNNB1 P35222 1/20 0.68
TDP1 Q9NUW8 1/20 0.52
MAPT P10636 4/20 0.51
KMT2A Q03164 3/20 0.51
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
GAA P10253 2/20 0.50
GSK3B P49841 1/20 0.50
PKM P14618 1/20 0.50
PTPN7 P35236 1/20 0.50
PTPN12 Q05209 1/20 0.50
PTPN22 Q9Y2R2 1/20 0.50
MGLL Q99685 2/20 0.49
EGFR P00533 2/20 0.47
ERBB2 P04626 2/20 0.47
HPGD P15428 1/20 0.47
HGFAC Q04756 1/20 0.45
CES1 P23141 1/20 0.44

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
SCHEMBL9622956 0.98 BCL9 (0.66) BCL9CTNNB1TDP1MAPTKMT2A
SCHEMBL531007 0.94 BCL9 (0.76) BCL9CTNNB1TDP1MAPTKMT2A
SCHEMBL531155 0.92 BCL9 (0.73) BCL9CTNNB1TDP1MAPTKMT2A
SCHEMBL7079988 0.92 BCL9 (0.73) BCL9CTNNB1TDP1MAPTKMT2A
SCHEMBL530771 0.92 BCL9 (0.73) BCL9CTNNB1TDP1MAPTKMT2A
SCHEMBL570540 0.92 BCL9 (0.73) BCL9CTNNB1TDP1MAPTKMT2A
SCHEMBL3919600 0.90 BCL9 (0.76) BCL9CTNNB1TDP1MAPTKMT2A
SCHEMBL9657255 0.88 BCL9 (0.68) BCL9CTNNB1TDP1MAPTKMT2A
SCHEMBL957930 0.87 BCL9 (0.81) BCL9CTNNB1TDP1MAPTKMT2A
SCHEMBL1400174 0.86 BCL9 (0.80) BCL9CTNNB1TDP1MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10093696-B2 Nitric oxide donating carnosine compounds NICOX SCIENCE IRELAND (IE) 2018-10-09 US disclosed
US-20170291920-A1 NITRIC OXIDE DONATING CARNOSINE COMPOUNDS NICOX SA (FR) 2017-10-12 US disclosed
US-20170291920-A1 NITRIC OXIDE DONATING CARNOSINE COMPOUNDS NICOX SA (FR) 2017-10-12 US disclosed
US-20170291920-A1 NITRIC OXIDE DONATING CARNOSINE COMPOUNDS NICOX SA (FR) 2017-10-12 US disclosed
EP-2993172-B1 Nitric oxide donating carnosine compounds NICOX SCIENCE IRELAND (IE) 2017-04-19 EP disclosed
EP-2993172-B1 Nitric oxide donating carnosine compounds NICOX SCIENCE IRELAND (IE) 2017-04-19 EP disclosed
WO-2016034619-A1 NITRIC OXIDE DONATING CARNOSINE COMPOUNDS NICOX SCIENCE IRELAND (IE) 2016-03-10 WO disclosed
WO-2016034619-A1 NITRIC OXIDE DONATING CARNOSINE COMPOUNDS NICOX SCIENCE IRELAND (IE) 2016-03-10 WO disclosed
EP-2993172-A1 Nitric oxide donating carnosine compounds Nicox Science Ireland (IE) 2016-03-09 EP disclosed
EP-2993172-A1 Nitric oxide donating carnosine compounds Nicox Science Ireland (IE) 2016-03-09 EP disclosed
WO-2008113863-A2 NITROSATED DERIVATIVES OF 2,5-DIHYDROXYBENZENE COMPOUNDS ACTION MEDICINES, S.L. (ES) 2008-09-25 WO disclosed
WO-2008113863-A2 NITROSATED DERIVATIVES OF 2,5-DIHYDROXYBENZENE COMPOUNDS ACTION MEDICINES, S.L. (ES) 2008-09-25 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-20170291920-A1 NITRIC OXIDE DONATING CARNOSINE COMPOUNDS NOS1, NOS2, NOS3 BCL9 2506/4885CTNNB1 4828/4885TDP1 343/4885
US-10093696-B2 Nitric oxide donating carnosine compounds NOS1, NOS2, NOS3 BCL9 2506/4885CTNNB1 4828/4885TDP1 343/4885

“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.