SCHEMBL1901643

SCHEMBL1901643

O=C1c2cccc3cc([N+](=O)[O-])cc(c23)C(=O)N1CCO

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FTO Q9C0B1 2/20 0.72
PABPC1 P11940 2/20 0.72
NTRK1 P04629 1/20 0.72
NGFR P08138 1/20 0.72
MEN1 O00255 5/20 0.71
KMT2A Q03164 5/20 0.71
POLB P06746 4/20 0.71
MAPT P10636 3/20 0.71
HTT P42858 2/20 0.71
KDM4E B2RXH2 1/20 0.71
S1PR1 P21453 1/20 0.71
RAD52 P43351 1/20 0.71
RECQL P46063 1/20 0.71
RAB9A P51151 1/20 0.71
PAX8 Q06710 1/20 0.71
HEXA P06865 2/20 0.65
HEXB P07686 2/20 0.65
CA12 O43570 3/20 0.64
CA1 P00915 3/20 0.64
CA2 P00918 3/20 0.64

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
SCHEMBL3861437 0.93 FTO (0.69) FTOPABPC1NTRK1NGFRMEN1
SCHEMBL10261533 0.88 FTO (0.64) FTOPABPC1NTRK1NGFRMEN1
SCHEMBL2285573 0.87 FTO (0.72) FTOPABPC1NTRK1NGFRMEN1
SCHEMBL1893251 0.87 FTO (0.72) FTOPABPC1NTRK1NGFRMEN1
SCHEMBL5120849 0.86 FTO (0.68) FTOPABPC1NTRK1NGFRMEN1
SCHEMBL9501837 0.86 FTO (0.82) FTOPABPC1NTRK1NGFRMEN1
SCHEMBL8874399 0.85 FTO (0.69) FTOPABPC1NTRK1NGFRMEN1
SCHEMBL14560564 0.85 FTO (0.73) FTOPABPC1NTRK1NGFRMEN1
SCHEMBL8984579 0.85 FTO (0.80) FTOPABPC1NTRK1NGFRMEN1
SCHEMBL3853314 0.84 MEN1 (0.69) FTOPABPC1NTRK1NGFRMEN1

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 6 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
EP-1817059-A2 CONJUGATES OF 1,8-BIS-NAPHTHALIMIDES WITH AN ANTIBODY Genentech, Inc. (US) 2007-08-15 EP 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-20060182751-A1 Heterocyclic-substituted bis-1,8 naphthalimide compounds, antibody drug conjugates, and methods of use GENENTECH, INC. (US) 2006-08-17 US disclosed
WO-2006060533-A2 CONJUGATES OF 1, 8-BIS-NAPHTHALIMIDES WITH AN ANTIBODY GENENTECH, INC. (US) 2006-06-08 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 (2 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-20060182751-A1 Heterocyclic-substituted bis-1,8 naphthalimide compounds, antibody drug conjugates, and methods of use CCNY, CCNI, MKI67 FTO 4742/4885PABPC1 2228/4885NTRK1 2266/4885
US-20070134243-A1 Antibody drug conjugates and methods BOD1L1, MKI67, CCNI FTO 4755/4885PABPC1 1679/4885NTRK1 3347/4885

“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.