SCHEMBL717142

SCHEMBL717142

O=C1c2cccc3cc([N+](=O)[O-])cc(c23)C(=O)N1c1ccccc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.74
CA1 P00915 3/20 0.74
CA2 P00918 3/20 0.74
CA9 Q16790 3/20 0.74
KMT2A Q03164 6/20 0.70
MEN1 O00255 5/20 0.70
POLB P06746 5/20 0.66
CASP6 P55212 2/20 0.66
L3MBTL1 Q9Y468 2/20 0.66
CLTC Q00610 2/20 0.61
TDP1 Q9NUW8 1/20 0.61
SCN2A Q99250 2/20 0.59
BRD1 O95696 1/20 0.58
TAF1 P21675 1/20 0.58
BRPF1 P55201 1/20 0.58
FTO Q9C0B1 2/20 0.58
PABPC1 P11940 2/20 0.58
NTRK1 P04629 1/20 0.58
NGFR P08138 1/20 0.58
MAPT P10636 4/20 0.57

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
SCHEMBL5144919 0.91 SCN2A (0.70) CA12CA1CA2CA9KMT2A
SCHEMBL14159191 0.88 CA12 (0.73) CA12CA1CA2CA9KMT2A
SCHEMBL4235535 0.88 CLTC (0.73) CA12CA1CA2CA9KMT2A
SCHEMBL4235316 0.87 MEN1 (0.89) CA12CA1CA2CA9KMT2A
SCHEMBL5161227 0.85 MEN1 (0.75) CA12CA1CA2CA9KMT2A
SCHEMBL5533314 0.85 CA12 (0.79) CA12CA1CA2CA9KMT2A
SCHEMBL5160430 0.85 CA12 (0.69) CA12CA1CA2CA9KMT2A
SCHEMBL5529962 0.85 MAPT (0.68) CA12CA1CA2CA9KMT2A
SCHEMBL14533642 0.85 CA12 (0.69) CA12CA1CA2CA9KMT2A
SCHEMBL5162915 0.85 CA12 (0.65) CA12CA1CA2CA9KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140127137-A1 SMMR (SMALL MOLECULE METABOLITE REPORTERS) FOR USE AS IN VIVO GLUCOSE BIOSENSORS Cercacor Laboratories, Inc (US) 2014-05-08 US disclosed
US-8466286-B2 SMMR (small molecule metabolite reporters) for use as in vivo glucose biosensors CERCACOR LABORATORIES, INC. (US) 2013-06-18 US disclosed
US-20120052018-A1 SMMR (SMALL MOLECULE METABOLITE REPORTERS) FOR USE AS IN VIVO GLUCOSE BIOSENSORS MASIMO LABORATORIES, INC. (US) 2012-03-01 US disclosed
US-8029765-B2 SMMR (small molecule metabolite reporters) for use as in vivo glucose biosensors MASIMO LABORATORIES, INC. (US) 2011-10-04 US disclosed
US-8008088-B2 SMMR (small molecule metabolite reporters) for use as in vivo glucose biosensors MASIMO LABORATORIES, INC. (US) 2011-08-30 US disclosed
US-20090215814-A1 Method of inhibiting neurotrophin-receptor binding QUEEN'S UNIVERSITY AT KINGSTON (CA) 2009-08-27 US disclosed
US-20090004108-A1 Smmr (Small Molecule Metabolite Reporters) For Use As In Vivo Glucose Biosensors MASIMO LABORATORIES, INC. (US) 2009-01-01 US disclosed
US-20070110672-A1 SMMR (small molecule metabolite reporters) for use as in vivo glucose biosensors CERCACOR LABORATORIES, INC. 2007-05-17 US disclosed
US-20070078137-A1 Method of inhibiting neurotrophin-receptor binding QUEEN'S UNIVERSITY AT KINGSTON (CA) 2007-04-05 US disclosed
US-7148352-B2 Method of inhibiting neurotrophin-receptor binding QUEEN'S UNIVERSITY AT KINGSTON (CA) 2006-12-12 US disclosed
WO-2005065241-A2 SMMR (SMALL MOLECULE METABOLITE REPORTERS) FOR USE AS IN VIVO GLUCOSE BIOSENSORS ARGOSE, INC. (US) 2005-07-21 WO disclosed
US-20030186901-A1 Method of inhibiting neurotrophin-receptor binding MINE SAFETY APPLIANCES COMPANY 2003-10-02 US disclosed
US-6468990-B1 ADMINISTERING COMPOUNDS HAVING ELECTRONEGATIVE GROUPS WHICH INTERACT WITH CERTAIN LYSINE RESIDUES IN NERVE GROWTH FACTOR AND/OR HYDROPHOBIC MOIETY WHICH INTERACTS WITH HYDROPHOBIC REGION FORMED BY CERTAIN ISOLEUCINE AND PHENYLALANINE RESIDUES QUEEN'S UNIVERSITY AT KINGSTON (CA) 2002-10-22 US disclosed
EP-1226121-A1 METHOD OF INHIBITING NEUROTROPHIN-RECEPTOR BINDING QUEEN'S UNIVERSITY AT KINGSTON (CA) 2002-07-31 EP disclosed
WO-2000069829-A1 METHOD OF INHIBITING NEUROTROPHIN-RECEPTOR BINDING QUEEN'S UNIVERSITY (CA) 2000-11-23 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 (7 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-20090215814-A1 Method of inhibiting neurotrophin-receptor binding NGF, NTRK2, BDNF CA12 2567/4885CA1 1178/4885CA2 1798/4885
US-20140127137-A1 SMMR (SMALL MOLECULE METABOLITE REPORTERS) FOR USE AS IN VIVO GLUCOSE BIOSENSORS GCKR, SYMPK, SUCNR1 CA12 570/4885CA1 2608/4885CA2 723/4885
US-20070110672-A1 SMMR (small molecule metabolite reporters) for use as in vivo glucose biosensors GCKR, SYMPK, SUCNR1 CA12 570/4885CA1 2608/4885CA2 723/4885
US-20070078137-A1 Method of inhibiting neurotrophin-receptor binding NGF, NTRK2, BDNF CA12 2567/4885CA1 1178/4885CA2 1798/4885
US-20120052018-A1 SMMR (SMALL MOLECULE METABOLITE REPORTERS) FOR USE AS IN VIVO GLUCOSE BIOSENSORS GCKR, SYMPK, SUCNR1 CA12 570/4885CA1 2608/4885CA2 723/4885
US-20030186901-A1 Method of inhibiting neurotrophin-receptor binding NGF, NTRK2, BDNF CA12 2650/4885CA1 1142/4885CA2 1630/4885
US-20090004108-A1 Smmr (Small Molecule Metabolite Reporters) For Use As In Vivo Glucose Biosensors GCKR, SYMPK, SUCNR1 CA12 570/4885CA1 2608/4885CA2 723/4885

“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.