SCHEMBL2278697

SCHEMBL2278697

O=C1CCNc2c(Br)cc(Cl)cc21

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.70
KMT2A Q03164 3/20 0.70
L3MBTL1 Q9Y468 1/20 0.70
MAPT P10636 2/20 0.47
MAP2K1 Q02750 2/20 0.42
RAF1 P04049 1/20 0.42
MAPK1 P28482 1/20 0.42
PARP10 Q53GL7 4/20 0.40
PARP1 P09874 2/20 0.40
F7 P08709 1/20 0.40
F3 P13726 1/20 0.40
ALDH1A1 P00352 2/20 0.37
HPGD P15428 2/20 0.37
LMNA P02545 1/20 0.37
TP53 P04637 1/20 0.37
POLB P06746 1/20 0.37
GAA P10253 1/20 0.37
ALOX15 P16050 1/20 0.37
ALOX12 P18054 1/20 0.37
CASP1 P29466 1/20 0.37

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
SCHEMBL17513282 0.82 MEN1 (1.00) MEN1KMT2AL3MBTL1MAPTMAP2K1
SCHEMBL5399245 0.82 MEN1 (0.50) MEN1KMT2AL3MBTL1MAPTMAP2K1
SCHEMBL3722673 0.79 MEN1 (0.47) MEN1KMT2AL3MBTL1MAPTMAP2K1
SCHEMBL9037964 0.79 KMT2A (0.70) MEN1KMT2AL3MBTL1MAPTMAP2K1
SCHEMBL8188963 0.77 ACHE (0.47) MEN1KMT2AL3MBTL1MAPTMAP2K1
SCHEMBL8188585 0.76 MEN1 (0.70) MEN1KMT2AL3MBTL1MAPTMAP2K1
SCHEMBL9035160 0.74 KMT2A (0.62) MEN1KMT2AL3MBTL1MAPTMAPK1
SCHEMBL7666502 0.73 MEN1 (0.60) MEN1KMT2AL3MBTL1MAPTMAP2K1
SCHEMBL24886285 0.72 PARP10 (0.56) MEN1KMT2AL3MBTL1MAP2K1RAF1
SCHEMBL3715989 0.71 MAPT (0.64) MEN1KMT2AL3MBTL1MAPTMAP2K1

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
EP-2094714-B1 SUBSTITUTED THIENOPYRIDONE COMPOUNDS WITH ANTIBACTERIAL ACTIVITY CRESTONE INC (US) 2012-08-15 EP disclosed
US-7994192-B2 5-[3-(6,8-Dibromo-1,2,3,4-tetrahydro-quinolin-4-ylamino)-propylamino]-4H-thieno [3,2-b]pyridin-7-one, used as inhibitors of bacterial methionyl tRNA synthetase, administered for the treatment of bacterial infections; therapy for Clostridium difficile based infections CRESTONE, INC. (US) 2011-08-09 US disclosed
EP-2094714-A2 SUBSTITUTED THIENOPYRIDONE COMPOUNDS WITH ANTIBACTERIAL ACTIVITY Crestone, Inc. (US) 2009-09-02 EP disclosed
US-20080146609-A1 Substituted Thienopyridone Compounds With Antibacterial Activity REPLIDYNE, INC. (US) 2008-06-19 US disclosed
WO-2008039639-A2 SUBSTITUTED THIENOPYRIDONE COMPOUNDS WITH ANTIBACTERIAL ACTIVITY CRESTONE, INC. (US) 2008-04-03 WO disclosed
WO-2000021949-A1 QUINOLONES AS T-RNA SYNTHETASE INHIBITORS AND ANTIBACTERIAL AGENTS SMITHKLINE BEECHAM PLC (GB) 2000-04-20 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 (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-20080146609-A1 Substituted Thienopyridone Compounds With Antibacterial Activity TRDMT1, TYMS, WARS1 MEN1 2890/4885KMT2A 1169/4885L3MBTL1 697/4885

“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.