SCHEMBL4230682

SCHEMBL4230682

O=C(O)c1ccc(N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA9 Q16790 7/20 0.60
CA12 O43570 6/20 0.60
CA1 P00915 4/20 0.60
CA2 P00918 3/20 0.60
SCN2A Q99250 1/20 0.60
KDM4E B2RXH2 4/20 0.58
RXFP1 Q9HBX9 2/20 0.57
L3MBTL1 Q9Y468 2/20 0.57
LMNA P02545 1/20 0.54
HPGD P15428 1/20 0.53
PPARA Q07869 1/20 0.52
POLB P06746 1/20 0.51
APEX1 P27695 1/20 0.51
RECQL P46063 1/20 0.51
CASP6 P55212 1/20 0.51
CTDSP1 Q9GZU7 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2C9 P11712 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
SCHEMBL14881886 0.88 KDM4E (0.57) CA9CA12CA1CA2SCN2A
SCHEMBL6037172 0.88 KDM4E (0.57) CA9CA12CA1CA2SCN2A
SCHEMBL4231252 0.87 TYMS (0.65) CA9CA12CA1CA2SCN2A
SCHEMBL5151001 0.86 KDM4E (0.71) CA9CA12CA1CA2SCN2A
SCHEMBL31259847 0.86 KDM4E (0.71) CA9CA12CA1CA2SCN2A
SCHEMBL11308425 0.85 KDM4E (0.62) CA9CA12CA1CA2SCN2A
SCHEMBL11309121 0.82 KDM4E (0.62) CA9CA12CA1CA2SCN2A
SCHEMBL9870209 0.82 KDM4E (0.58) CA9CA12CA1CA2SCN2A
SCHEMBL9502422 0.81 KDM4E (0.61) CA9CA12CA1CA2SCN2A
Hydrochloric Acid SCHEMBL11406824 0.81 KDM4E (0.61) CA9CA12CA1CA2SCN2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090215814-A1 Method of inhibiting neurotrophin-receptor binding QUEEN'S UNIVERSITY AT KINGSTON (CA) 2009-08-27 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
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
US-4250096-A PHOTOCROSSLINKABLE POLYMERS; PRINTED CIRCUITS; PRINTING PLATES CIBA-GEIGY CORPORATION (US) 1981-02-10 US disclosed
US-4247660-A Photo-crosslinkable polymers having azidophthalimidyl side groups CIBA-GEIGY CORPORATION (US) 1981-01-27 US 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 (3 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 CA9 3655/4885CA12 2567/4885CA1 1178/4885
US-20070078137-A1 Method of inhibiting neurotrophin-receptor binding NGF, NTRK2, BDNF CA9 3655/4885CA12 2567/4885CA1 1178/4885
US-20030186901-A1 Method of inhibiting neurotrophin-receptor binding NGF, NTRK2, BDNF CA9 4005/4885CA12 2650/4885CA1 1142/4885

“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.