SCHEMBL3853314

SCHEMBL3853314

O=C(O)CCCN1C(=O)c2cccc3cc([N+](=O)[O-])cc(c23)C1=O

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.69
KMT2A Q03164 4/20 0.69
FTO Q9C0B1 2/20 0.65
PABPC1 P11940 2/20 0.65
POLB P06746 4/20 0.64
KDM4E B2RXH2 3/20 0.64
MAPT P10636 1/20 0.64
S1PR1 P21453 1/20 0.64
HTT P42858 1/20 0.64
RAD52 P43351 1/20 0.64
RECQL P46063 1/20 0.64
RAB9A P51151 1/20 0.64
PAX8 Q06710 1/20 0.64
CA12 O43570 3/20 0.59
CA1 P00915 3/20 0.59
CA2 P00918 3/20 0.59
CA9 Q16790 3/20 0.59
LCK P06239 1/20 0.58
NTRK1 P04629 1/20 0.56
NGFR P08138 1/20 0.56

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
SCHEMBL5107206 0.97 FTO (0.64) MEN1KMT2AFTOPABPC1POLB
SCHEMBL2023426 0.96 FTO (0.63) MEN1KMT2AFTOPABPC1POLB
SCHEMBL5120849 0.93 FTO (0.68) MEN1KMT2AFTOPABPC1POLB
SCHEMBL3851692 0.91 MEN1 (0.56) MEN1KMT2AFTOPABPC1POLB
SCHEMBL3850831 0.90 FTO (0.64) MEN1KMT2AFTOPABPC1POLB
SCHEMBL3861437 0.87 FTO (0.69) MEN1KMT2AFTOPABPC1POLB
SCHEMBL5116172 0.86 MEN1 (0.66) MEN1KMT2AFTOPABPC1POLB
SCHEMBL13714219 0.85 FTO (0.61) MEN1KMT2AFTOPABPC1POLB
SCHEMBL14560564 0.85 FTO (0.73) MEN1KMT2AFTOPABPC1POLB
SCHEMBL1901643 0.84 FTO (0.72) MEN1KMT2AFTOPABPC1POLB

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120178749-A1 NS1 PROTEIN INHIBITORS ROTH MICHAEL (US) 2012-07-12 US disclosed
US-8119656-B2 Inhibitors of the influenza virus non-structural 1 protein THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2012-02-21 US disclosed
US-8119656-B2 Inhibitors of the influenza virus non-structural 1 protein THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2012-02-21 US disclosed
US-7579468-B2 Methods of modulating neurotrophin-mediated activity PAINCEPTOR PHARMA CORPORATION (CA) 2009-08-25 US disclosed
US-7579468-B2 Methods of modulating neurotrophin-mediated activity PAINCEPTOR PHARMA CORPORATION (CA) 2009-08-25 US disclosed
US-7579468-B2 Methods of modulating neurotrophin-mediated activity PAINCEPTOR PHARMA CORPORATION (CA) 2009-08-25 US disclosed
US-20090170840-A1 NS1 protein inhibitors THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM 2009-07-02 US disclosed
US-20090170840-A1 NS1 protein inhibitors THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM 2009-07-02 US disclosed
US-20090082368-A1 METHODS OF MODULATING NEUROTROPHIN-MEDIATED ACTIVITY PAINCEPTOR PHARMA CORPORATION (CA) 2009-03-26 US disclosed
US-20090082368-A1 METHODS OF MODULATING NEUROTROPHIN-MEDIATED ACTIVITY PAINCEPTOR PHARMA CORPORATION (CA) 2009-03-26 US disclosed
US-7318964-B2 Fluorene compounds containing various functional groups, polymers thereof and EL element using the same KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2008-01-15 US disclosed
US-20070093474-A1 Methods of modulating neurotrophin-mediated activity PAINCEPTOR PHARMA CORPORATION (CA) 2007-04-26 US disclosed
US-20070093474-A1 Methods of modulating neurotrophin-mediated activity PAINCEPTOR PHARMA CORPORATION (CA) 2007-04-26 US disclosed
US-20070093474-A1 Methods of modulating neurotrophin-mediated activity PAINCEPTOR PHARMA CORPORATION (CA) 2007-04-26 US disclosed
WO-2007030940-A2 METHODS OF MODULATING NEUROTROPHIN-MEDIATED ACTIVITY PAINCEPTOR PHARMA CORPORATION (CA) 2007-03-22 WO disclosed
EP-1743886-A1 Method of inhibiting neurotrophin-receptor binding QUEEN'S UNIVERSITY AT KINGSTON (CA) 2007-01-17 EP disclosed
US-20030091859-A1 Fluorene compounds containing various functional groups, polymers thereof and el element using the same KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2003-05-15 US disclosed
US-6492380-B1 Method of inhibiting neurotrophin-receptor binding QUEEN'S UNIVERSITY AT KINGSTON (CA) 2002-12-10 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 (5 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-20090170840-A1 NS1 protein inhibitors MAVS, SERPINB1, SPINT2 MEN1 3271/4885KMT2A 2284/4885FTO 4178/4885
US-20030091859-A1 Fluorene compounds containing various functional groups, polymers thereof and el element using the same AFF4, AFF2, LEF1 MEN1 1080/4885KMT2A 1881/4885FTO 235/4885
US-20120178749-A1 NS1 PROTEIN INHIBITORS MAVS, SERPINB1, SPINT2 MEN1 3271/4885KMT2A 2284/4885FTO 4178/4885
US-20090082368-A1 METHODS OF MODULATING NEUROTROPHIN-MEDIATED ACTIVITY NGF, BDNF, NTRK2 MEN1 3865/4885KMT2A 4267/4885FTO 4015/4885
US-20070093474-A1 Methods of modulating neurotrophin-mediated activity NGF, BDNF, NTRK2 MEN1 3865/4885KMT2A 4267/4885FTO 4015/4885

“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.