SCHEMBL5265309

SCHEMBL5265309

CCOC(=O)c1ccc(C(F)(F)F)nc1-c1ccc(F)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
PTGS2 P35354 3/20 0.50
GAA P10253 1/20 0.48
KDM4E B2RXH2 5/20 0.48
HPGD P15428 4/20 0.48
NPSR1 Q6W5P4 3/20 0.48
MAPK1 P28482 3/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
MAPT P10636 2/20 0.48
PKM P14618 1/20 0.48
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
KMT2A Q03164 2/20 0.47
HSD17B10 Q99714 2/20 0.47
LMNA P02545 2/20 0.47
TP53 P04637 1/20 0.47
ALOX15 P16050 1/20 0.47

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
SCHEMBL4192118 0.88 ALDH1A1 (0.57) ALDH1A1L3MBTL1GAAKDM4EHPGD
SCHEMBL5335693 0.88 L3MBTL1 (0.47) ALDH1A1L3MBTL1PTGS2GAAKDM4E
SCHEMBL5264429 0.85 SMN1; SMN2 (0.53) ALDH1A1L3MBTL1HPGDNPC1RAB9A
SCHEMBL5263050 0.85 ALDH1A1 (0.43) ALDH1A1L3MBTL1PTGS2GAAKDM4E
SCHEMBL22440652 0.84 KDM4E (0.47) ALDH1A1L3MBTL1GAAKDM4EHPGD
SCHEMBL1498542 0.79 KDM4E (0.50) ALDH1A1L3MBTL1GAAKDM4EHPGD
SCHEMBL31697314 0.79 KDM4E (0.50) ALDH1A1L3MBTL1GAAKDM4EHPGD
SCHEMBL13853224 0.79 CSNK1D (0.41) PTGS2KDM4ERAB9A
SCHEMBL5260549 0.79 ALDH1A1 (0.47) ALDH1A1L3MBTL1GAAKDM4EHPGD
SCHEMBL28509330 0.79 MDM2 (0.60) ALDH1A1L3MBTL1KDM4EHPGDNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090137558-A1 Pyridine based compounds useful as intermediates for pharmaceutical or agricultural end-products PEAKDALE MOLECULAR LIMITED (GB) 2009-05-28 US disclosed
US-20090137558-A1 Pyridine based compounds useful as intermediates for pharmaceutical or agricultural end-products PEAKDALE MOLECULAR LIMITED (GB) 2009-05-28 US disclosed
EP-1824828-A2 PYRIDINE BASED COMPOUNDS USEFUL AS INTERMEDIATES FOR PHARMACEUTICAL OR AGRICULTURAL END-PRODUCTS Peakdale Molecular Limited (GB) 2007-08-29 EP disclosed
WO-2006059103-A2 PYRIDINE BASED COMPOUNDS USEFUL AS INTERMEDIATES FOR PHARMACEUTICAL OR AGRICULTURAL END-PRODUCTS PEAKDALE MOLECULAR LIMITED (GB) 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 (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-20090137558-A1 Pyridine based compounds useful as intermediates for pharmaceutical or agricultural end-products PNPO, CYP4B1, PDXK ALDH1A1 290/4885L3MBTL1 4745/4885PTGS2 1019/4885

“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.