SCHEMBL745282

SCHEMBL745282

CC(Oc1ccc([N+](=O)[O-])cn1)C(F)(F)F

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.52
NPSR1 Q6W5P4 1/20 0.52
HSPB1 P04792 2/20 0.50
KMT2A Q03164 5/20 0.45
MEN1 O00255 4/20 0.45
PABPC1 P11940 2/20 0.45
CYP2C19 P33261 2/20 0.43
RAB9A P51151 4/20 0.42
GAA P10253 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
POLB P06746 1/20 0.39
CYP1A2 P05177 1/20 0.39
GABRA5 P31644 1/20 0.39
ALDH1A1 P00352 4/20 0.39
NPC1 O15118 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
HSP90AA1 P07900 2/20 0.38
CXCR5 P32302 2/20 0.38
APLNR P35414 2/20 0.38
CCR6 P51684 2/20 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
SCHEMBL11590 1.00 MAPT (0.52) MAPTNPSR1HSPB1KMT2AMEN1
SCHEMBL1360440 0.85 MAPT (0.58) MAPTNPSR1HSPB1KMT2AMEN1
SCHEMBL306639 0.83 HSPB1 (0.53) MAPTNPSR1HSPB1KMT2AMEN1
SCHEMBL29199065 0.80 HSPB1 (0.50) MAPTNPSR1HSPB1KMT2AMEN1
SCHEMBL29974305 0.80 HSPB1 (0.56) MAPTNPSR1HSPB1KMT2AMEN1
SCHEMBL558792 0.80 HSPB1 (0.56) MAPTNPSR1HSPB1KMT2AMEN1
SCHEMBL5799 0.77 HSPB1 (0.54) MAPTNPSR1HSPB1KMT2AMEN1
SCHEMBL5630 0.76 MEN1 (0.48) MAPTHSPB1KMT2AMEN1RAB9A
SCHEMBL9850671 0.76 MAPT (0.44) MAPTNPSR1HSPB1KMT2AMEN1
SCHEMBL10056 0.75 MAPT (0.51) MAPTNPSR1HSPB1KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2688881-A1 NEW AZASPIRODECANONE COMPOUNDS AS HSL INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2014-01-29 EP disclosed
EP-2475644-B1 HSL INHIBITORS USEFUL IN THE TREATMENT OF DIABETES HOFFMANN LA ROCHE (CH) 2014-01-08 EP disclosed
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
WO-2012130679-A1 NEW AZASPIRODECANONE COMPOUNDS AS HSL INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2012-10-04 WO disclosed
US-8258158-B2 HSL inhibitors useful in the treatment of diabetes HOFFMANN-LA ROCHE INC. (US) 2012-09-04 US disclosed
EP-2475644-A1 HSL INHIBITORS USEFUL IN THE TREATMENT OF DIABETES F. Hoffmann-La Roche AG (CH) 2012-07-18 EP disclosed
EP-2430023-A1 AZACYCLIC SPIRODERIVATIVES AS HSL INHIBITORS F. Hoffmann-La Roche AG (CH) 2012-03-21 EP disclosed
WO-2011029808-A1 HSL INHIBITORS USEFUL IN THE TREATMENT OF DIABETES F. HOFFMANN-LA ROCHE AG (CH) 2011-03-17 WO disclosed
US-20110065707-A1 NEW HSL INHIBITORS USEFUL IN THE TREATMENT OF DIABETES HOFFMANN-LA ROCHE, INC. 2011-03-17 US 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 (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-20110065707-A1 NEW HSL INHIBITORS USEFUL IN THE TREATMENT OF DIABETES LIPE, PNLIP, LPL MAPT 4639/4885NPSR1 665/4885HSPB1 1435/4885
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.