SCHEMBL743379

SCHEMBL743379

O=[N+]([O-])c1ccc(OCCC(F)(F)F)nc1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
HSPB1 P04792 2/20 0.51
GAA P10253 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
EPHX2 P34913 7/20 0.44
RAB9A P51151 1/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
PABPC1 P11940 1/20 0.43
GABRA5 P31644 1/20 0.42
CYP2C19 P33261 1/20 0.41
PPARG P37231 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALOX12 P18054 1/20 0.38
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL9969416 0.85 KMT2A (0.52) MAPTNPSR1HSPB1GAAL3MBTL1
SCHEMBL1590498 0.84 MAPT (0.59) MAPTNPSR1HSPB1GAAL3MBTL1
SCHEMBL16943515 0.83 HSPB1 (0.55) MAPTNPSR1HSPB1GAAL3MBTL1
SCHEMBL31177655 0.80 ALDH1A1 (0.41) MAPTNPSR1HSPB1RAB9AMEN1
SCHEMBL17672793 0.80 HSPB1 (0.51) MAPTNPSR1HSPB1GAAL3MBTL1
SCHEMBL55612 0.80 HSPB1 (0.51) MAPTNPSR1HSPB1GAAL3MBTL1
SCHEMBL30431925 0.80 HSPB1 (0.51) MAPTNPSR1HSPB1GAAL3MBTL1
SCHEMBL29024512 0.80 HSPB1 (0.51) MAPTNPSR1HSPB1GAAL3MBTL1
SCHEMBL28723950 0.79 MAPT (0.53) MAPTNPSR1HSPB1GAAL3MBTL1
SCHEMBL30596896 0.79 CHRNB2 (0.54) MAPTNPSR1HSPB1GAAL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2430023-B1 AZACYCLIC SPIRODERIVATIVES AS HSL INHIBITORS HOFFMANN LA ROCHE (CH) 2013-12-11 EP disclosed
US-8329904-B2 Azacyclic derivatives HOFFMANN-LA ROCHE INC. (US) 2012-12-11 US disclosed
EP-2430023-A1 AZACYCLIC SPIRODERIVATIVES AS HSL INHIBITORS F. Hoffmann-La Roche AG (CH) 2012-03-21 EP disclosed
WO-2010130665-A1 AZACYCLIC SPIRODERIVATIVES AS HSL INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2010-11-18 WO disclosed
US-20100292212-A1 NEW AZACYCLIC DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2010-11-18 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-20100292212-A1 NEW AZACYCLIC DERIVATIVES GPR119, LDLR, LPL MAPT 4847/4885NPSR1 407/4885HSPB1 3182/4885

“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.