SCHEMBL5116172

SCHEMBL5116172

O=C(O)CN1C(=O)c2cccc3cc([N+](=O)[O-])cc(c23)C1=O

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.66
KMT2A Q03164 3/20 0.66
KDM4E B2RXH2 2/20 0.66
MAPT P10636 2/20 0.66
ALDH1A1 P00352 1/20 0.66
CYP1A2 P05177 1/20 0.66
AKR1B1 P15121 1/20 0.66
HPGD P15428 1/20 0.66
ALOX15 P16050 1/20 0.66
HSD17B10 Q99714 1/20 0.66
FTO Q9C0B1 2/20 0.64
PABPC1 P11940 2/20 0.64
POLB P06746 2/20 0.63
S1PR1 P21453 1/20 0.63
HTT P42858 1/20 0.63
RAD52 P43351 1/20 0.63
RECQL P46063 1/20 0.63
RAB9A P51151 1/20 0.63
PAX8 Q06710 1/20 0.63
NTRK1 P04629 1/20 0.61

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
SCHEMBL5120849 0.88 FTO (0.68) MEN1KMT2AKDM4EMAPTFTO
SCHEMBL3853314 0.86 MEN1 (0.69) MEN1KMT2AKDM4EMAPTALDH1A1
SCHEMBL5107206 0.85 FTO (0.64) MEN1KMT2AKDM4EMAPTALDH1A1
SCHEMBL4100436 0.84 FTO (0.60) MEN1KMT2AKDM4EMAPTALDH1A1
SCHEMBL2023426 0.84 FTO (0.63) MEN1KMT2AKDM4EMAPTALDH1A1
SCHEMBL1901643 0.84 FTO (0.72) MEN1KMT2AKDM4EMAPTCYP1A2
SCHEMBL3856490 0.82 CA12 (0.76) MEN1KMT2AKDM4EMAPTFTO
SCHEMBL12660567 0.82 FTO (0.74) MEN1KMT2AKDM4EMAPTALDH1A1
SCHEMBL8984675 0.82 FTO (0.61) MEN1KMT2AKDM4EMAPTALDH1A1
SCHEMBL3853199 0.82 CA12 (0.70) MEN1KMT2AKDM4EMAPTFTO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7947839-B2 Heterocyclic-substituted bis-1,8 naphthalimide compounds, antibody drug conjugates, and methods of use GENENTECH, INC. (US) 2011-05-24 US disclosed
US-7947839-B2 Heterocyclic-substituted bis-1,8 naphthalimide compounds, antibody drug conjugates, and methods of use GENENTECH, INC. (US) 2011-05-24 US disclosed
US-20080221147-A1 Method of inhibiting neurotrophin-receptor binding ROSS GREGORY M 2008-09-11 US disclosed
US-20080138817-A1 Novel Functional Peptide Nucleic Acid Monomer and Process for Producing the Same CREDIA JAPAN CO., LTD. (JP) 2008-06-12 US disclosed
US-20080138817-A1 Novel Functional Peptide Nucleic Acid Monomer and Process for Producing the Same CREDIA JAPAN CO., LTD. (JP) 2008-06-12 US disclosed
US-7282575-B2 Functional peptide nucleic acid monomer and process for producing the same CREDIA JAPAN CO., LTD. (JP) 2007-10-16 US disclosed
US-7282575-B2 Functional peptide nucleic acid monomer and process for producing the same CREDIA JAPAN CO., LTD. (JP) 2007-10-16 US disclosed
WO-2007064345-A9 HETEROCYCLIC-SUBSTITUTED BIS-1,8 NAPHTHALIMIDE COMPOUNDS, ANTIBODY DRUG CONJUGATES, AND METHODS OF USE GENENTECH INC (US) 2007-07-12 WO disclosed
US-20070134243-A1 Antibody drug conjugates and methods GENENTECH, INC. 2007-06-14 US disclosed
US-20070134243-A1 Antibody drug conjugates and methods GENENTECH, INC. 2007-06-14 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
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
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-20060063793-A1 Method of inhibiting neurotrophin-receptor binding NGF, NTRK2, BDNF MEN1 3489/4885KMT2A 3466/4885KDM4E 2834/4885
US-20030203923-A1 Method of inhibiting neurotrophin-receptor binding NGF, NTRK2, BDNF MEN1 3799/4885KMT2A 3385/4885KDM4E 2289/4885
US-20080221147-A1 Method of inhibiting neurotrophin-receptor binding NGF, NTRK2, BDNF MEN1 3489/4885KMT2A 3466/4885KDM4E 2834/4885
US-20070134243-A1 Antibody drug conjugates and methods BOD1L1, MKI67, CCNI MEN1 1674/4885KMT2A 1301/4885KDM4E 2365/4885
US-20080138817-A1 Novel Functional Peptide Nucleic Acid Monomer and Process for Producing the Same NSUN3, RNGTT, NSUN2 MEN1 3066/4885KMT2A 2806/4885KDM4E 4577/4885

“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.