SCHEMBL4580245

SCHEMBL4580245

O=C(O)c1ccc2c[n+]([O-])cc(-c3cccs3)c2n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.45
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
PIM1 P11309 1/20 0.38
PIM3 Q86V86 1/20 0.38
PLK3 Q9H4B4 1/20 0.38
PIM2 Q9P1W9 1/20 0.38
SRPK1 Q96SB4 1/20 0.37
RPS6KB2 Q9UBS0 1/20 0.37
MMP2 P08253 2/20 0.35
MGAM O43451 1/20 0.35
GPR35 Q9HC97 2/20 0.34
ERCC1 P07992 1/20 0.34
FEN1 P39748 1/20 0.34
ERCC4 Q92889 1/20 0.34
ALDH1A1 P00352 2/20 0.34
APOBEC3A P31941 1/20 0.34
HTT P42858 1/20 0.34
DHODH Q02127 1/20 0.34
ALOX15 P16050 1/20 0.33

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
SCHEMBL4580252 0.77 CCNC (0.48) KDM4EKMT2AMEN1PIM1PIM3
SCHEMBL4580733 0.68 KDM4E (0.44) KDM4EKMT2AMEN1PIM1PIM3
SCHEMBL2118764 0.67 FDPS (0.46) KDM4EKMT2AMEN1PIM1PIM3
SCHEMBL2119059 0.66 FDPS (0.45) KDM4EKMT2AMEN1PIM1PIM3
SCHEMBL2972148 0.65 KDM4E (0.63) KDM4EKMT2AMEN1PIM1PIM3
Benzene SCHEMBL27872024 0.65 KDM4E (0.70) KDM4EKMT2AMEN1PIM1MMP2
SCHEMBL21044590 0.64 KDM4E (0.58) KDM4EKMT2AMEN1PIM1PIM3
SCHEMBL6234340 0.63 RPS6KB2 (0.53) KDM4EKMT2AMEN1PIM1PIM3
Benzene SCHEMBL27888317 0.63 KDM4E (0.68) KDM4EKMT2AMEN1PIM1MMP2
SCHEMBL1088781 0.62 KDM4E (0.67) KDM4EKMT2AMEN1PIM1MMP2

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-20080032991-A1 2, 8-disubstituted Naphthyridine Derivatives SERENEX, INC. 2008-02-07 US disclosed
US-7282506-B2 2,8-disubstituted naphthyridine derivatives SERENEX, INC. (US) 2007-10-16 US disclosed
US-20060030584-A1 2,8-Disubstituted naphthyridine derivatives SERENEX, INC. 2006-02-09 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 (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-20060030584-A1 2,8-Disubstituted naphthyridine derivatives CCNA1, FOXM1, CCNA2 KDM4E 3744/4885KMT2A 2613/4885MEN1 2217/4885
US-20080032991-A1 2, 8-disubstituted Naphthyridine Derivatives CCNA1, FOXM1, CCNA2 KDM4E 3744/4885KMT2A 2613/4885MEN1 2217/4885

“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.