SCHEMBL5120849

SCHEMBL5120849

O=C(O)CCN1C(=O)c2cccc3cc([N+](=O)[O-])cc(c23)C1=O

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FTO Q9C0B1 2/20 0.68
PABPC1 P11940 2/20 0.68
MEN1 O00255 4/20 0.67
KMT2A Q03164 4/20 0.67
POLB P06746 3/20 0.67
KDM4E B2RXH2 2/20 0.67
MAPT P10636 1/20 0.67
S1PR1 P21453 1/20 0.67
HTT P42858 1/20 0.67
RAD52 P43351 1/20 0.67
RECQL P46063 1/20 0.67
RAB9A P51151 1/20 0.67
PAX8 Q06710 1/20 0.67
CA12 O43570 3/20 0.61
CA1 P00915 3/20 0.61
CA2 P00918 3/20 0.61
CA9 Q16790 3/20 0.61
NTRK1 P04629 1/20 0.58
NGFR P08138 1/20 0.58
LCK P06239 1/20 0.58

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
SCHEMBL3853314 0.93 MEN1 (0.69) FTOPABPC1MEN1KMT2APOLB
SCHEMBL5107206 0.92 FTO (0.64) FTOPABPC1MEN1KMT2APOLB
SCHEMBL2023426 0.91 FTO (0.63) FTOPABPC1MEN1KMT2APOLB
SCHEMBL3852391 0.90 FTO (0.53) FTOPABPC1MEN1KMT2APOLB
SCHEMBL5116172 0.88 MEN1 (0.66) FTOPABPC1MEN1KMT2APOLB
SCHEMBL1901643 0.86 FTO (0.72) FTOPABPC1MEN1KMT2APOLB
SCHEMBL3850831 0.85 FTO (0.64) FTOPABPC1MEN1KMT2APOLB
SCHEMBL3861437 0.84 FTO (0.69) FTOPABPC1MEN1KMT2APOLB
SCHEMBL2285573 0.84 FTO (0.72) FTOPABPC1MEN1KMT2APOLB
SCHEMBL1893251 0.84 FTO (0.72) FTOPABPC1MEN1KMT2APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080221147-A1 Method of inhibiting neurotrophin-receptor binding ROSS GREGORY M 2008-09-11 US disclosed
EP-1743886-A1 Method of inhibiting neurotrophin-receptor binding QUEEN'S UNIVERSITY AT KINGSTON (CA) 2007-01-17 EP disclosed
US-20060063793-A1 Method of inhibiting neurotrophin-receptor binding ROSS GREGORY M 2006-03-23 US disclosed
CN-1246323-C Nitrogen-based camptothecin derivatives CALIFORNIA PACIFIC MED CENTER (US) 2006-03-22 CN disclosed
CN-1511159-A Nitrogen-based camptothecin derivatives ����������̫ƽ��ҽѧ���� 2004-07-07 CN disclosed
US-20030203923-A1 Method of inhibiting neurotrophin-receptor binding QUEEN'S UNIVERSITY AT KINGSTON (CA) 2003-10-30 US disclosed
US-6492380-B1 Method of inhibiting neurotrophin-receptor binding QUEEN'S UNIVERSITY AT KINGSTON (CA) 2002-12-10 US disclosed
US-6462023-B1 SUCH AS 2-HYDROXY-HYDROXYCARBAMOYL-METHYL)-4-METHYL-PENTANOYLAMINE)-2-PHENYL -ETHANOIC ACID CYCLOPENTYL ESTER; INHIBITING HYPERPROLIFERATIVE TUMOURGENIC CELLS SUCH AS MELANOMA AND/OR LYMPHOMA CELLS BRITISH BIOTECH PHARMACEUTICALS, LTD. (GB) 2002-10-08 US disclosed
EP-1185515-A1 METHOD OF INHIBITING NEUROTROPHIN-RECEPTOR BINDING QUEEN'S UNIVERSITY AT KINGSTON (CA) 2002-03-13 EP disclosed
WO-2000069828-A1 METHOD OF INHIBITING NEUROTROPHIN-RECEPTOR BINDING QUEEN'S UNIVERSITY AT KINGSTON (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 (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-20060063793-A1 Method of inhibiting neurotrophin-receptor binding NGF, NTRK2, BDNF FTO 2107/4885PABPC1 4029/4885MEN1 3489/4885
US-20030203923-A1 Method of inhibiting neurotrophin-receptor binding NGF, NTRK2, BDNF FTO 2078/4885PABPC1 3895/4885MEN1 3799/4885
US-20080221147-A1 Method of inhibiting neurotrophin-receptor binding NGF, NTRK2, BDNF FTO 2107/4885PABPC1 4029/4885MEN1 3489/4885

“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.