SCHEMBL5459798

SCHEMBL5459798

CN(C)CCN1C(=O)c2cccc3cc(NC(=O)Nc4ccc(C#N)cc4)cc(c23)C1=O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FTO Q9C0B1 3/20 0.61
CYP2D6 P10635 2/20 0.54
HEXA P06865 1/20 0.54
HEXB P07686 1/20 0.54
PABPC1 P11940 1/20 0.51
POLB P06746 2/20 0.47
NR1I2 O75469 1/20 0.47
AHR P35869 1/20 0.47
RAD52 P43351 1/20 0.47
RCE1 Q9Y256 1/20 0.47
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
MAPT P10636 3/20 0.45
KDM4E B2RXH2 2/20 0.45
ALDH1A1 P00352 3/20 0.44
THRB P10828 1/20 0.44
HPGD P15428 1/20 0.44
CYP1A2 P05177 2/20 0.43
TNNI3 P19429 1/20 0.43
MAPK1 P28482 1/20 0.43

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
SCHEMBL5272325 0.92 FTO (0.58) FTOCYP2D6HEXAHEXBPABPC1
SCHEMBL5267607 0.87 FTO (0.67) FTOCYP2D6HEXAHEXBPABPC1
SCHEMBL14507173 0.86 FTO (0.62) FTOCYP2D6HEXAHEXBPABPC1
SCHEMBL11440392 0.83 FTO (0.71) FTOCYP2D6HEXAHEXBPABPC1
SCHEMBL14507166 0.83 FTO (0.59) FTOCYP2D6HEXAHEXBPABPC1
SCHEMBL14507164 0.83 FTO (0.59) FTOCYP2D6HEXAHEXBPABPC1
SCHEMBL4191037 0.82 FTO (0.65) FTOCYP2D6HEXAHEXBPABPC1
SCHEMBL4188839 0.82 FTO (0.70) FTOCYP2D6HEXAHEXBPABPC1
SCHEMBL5270794 0.81 FTO (0.69) FTOCYP2D6HEXAHEXBPABPC1
Hydrochloric Acid SCHEMBL5450264 0.81 FTO (0.64) FTOCYP2D6HEXAHEXBPABPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070117836-A1 NAPTHALIMIDE DERIVATIVES, METHODS FOR THEIR PRODUCTION AND PHARMACEUTICAL COMPOSITIONS THEREFROM UNIBIOSCREEN S.A. (BE) 2007-05-24 US claimed
US-20070117836-A1 NAPTHALIMIDE DERIVATIVES, METHODS FOR THEIR PRODUCTION AND PHARMACEUTICAL COMPOSITIONS THEREFROM UNIBIOSCREEN S.A. (BE) 2007-05-24 US disclosed
US-20070117836-A1 NAPTHALIMIDE DERIVATIVES, METHODS FOR THEIR PRODUCTION AND PHARMACEUTICAL COMPOSITIONS THEREFROM UNIBIOSCREEN S.A. (BE) 2007-05-24 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-20070117836-A1 NAPTHALIMIDE DERIVATIVES, METHODS FOR THEIR PRODUCTION AND PHARMACEUTICAL COMPOSITIONS THEREFROM NPM1, NAPRT, NUTF2 FTO 3049/4885CYP2D6 62/4885HEXA 4016/4885

“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.