SCHEMBL3852391

SCHEMBL3852391

O=C(O)CCN1C(=O)c2cc([N+](=O)[O-])cc3cc([N+](=O)[O-])cc(c23)C1=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FTO Q9C0B1 2/20 0.53
PABPC1 P11940 2/20 0.53
MEN1 O00255 5/20 0.52
KMT2A Q03164 5/20 0.52
KDM4E B2RXH2 4/20 0.52
POLB P06746 3/20 0.52
RAB9A P51151 2/20 0.52
MAPT P10636 2/20 0.52
S1PR1 P21453 1/20 0.52
HTT P42858 1/20 0.52
RAD52 P43351 1/20 0.52
RECQL P46063 1/20 0.52
PAX8 Q06710 1/20 0.52
CASP6 P55212 2/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
CA12 O43570 2/20 0.47
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
CA9 Q16790 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL3851692 0.92 MEN1 (0.56) FTOPABPC1MEN1KMT2AKDM4E
SCHEMBL5120849 0.90 FTO (0.68) FTOPABPC1MEN1KMT2AKDM4E
SCHEMBL4145804 0.85 MEN1 (0.52) FTOPABPC1MEN1KMT2AKDM4E
SCHEMBL14557198 0.85 MEN1 (0.49) FTOPABPC1MEN1KMT2AKDM4E
SCHEMBL3852184 0.85 MEN1 (0.49) FTOPABPC1MEN1KMT2AKDM4E
SCHEMBL3853314 0.83 MEN1 (0.69) FTOPABPC1MEN1KMT2AKDM4E
SCHEMBL5107206 0.82 FTO (0.64) FTOPABPC1MEN1KMT2AKDM4E
SCHEMBL4234495 0.82 RAB9A (0.66) MEN1KMT2AKDM4ERAB9ACA12
SCHEMBL2023426 0.81 FTO (0.63) FTOPABPC1MEN1KMT2AKDM4E
SCHEMBL3860903 0.78 FTO (0.48) FTOPABPC1MEN1KMT2AKDM4E

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-7579468-B2 Methods of modulating neurotrophin-mediated activity PAINCEPTOR PHARMA CORPORATION (CA) 2009-08-25 US claimed
EP-1931637-A2 METHODS OF MODULATING NEUROTROPHIN-MEDIATED ACTIVITY PainCeptor Pharma Corp. (CA) 2008-06-18 EP claimed
US-20070093474-A1 Methods of modulating neurotrophin-mediated activity PAINCEPTOR PHARMA CORPORATION (CA) 2007-04-26 US claimed
WO-2007030940-A2 METHODS OF MODULATING NEUROTROPHIN-MEDIATED ACTIVITY PAINCEPTOR PHARMA CORPORATION (CA) 2007-03-22 WO claimed
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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20070093474-A1 Methods of modulating neurotrophin-mediated activity NGF, BDNF, NTRK2 FTO 4015/4885PABPC1 3436/4885MEN1 3865/4885

“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.