SCHEMBL275261

SCHEMBL275261

O=Cc1cc(Cl)ccc1Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.69

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE7A Q13946 2/20 0.51
HSPB1 P04792 3/20 0.50
ALDH1A1 P00352 5/20 0.47
MAPT P10636 5/20 0.47
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
GAA P10253 1/20 0.44
PKM P14618 1/20 0.44
LMNA P02545 1/20 0.44
ATM Q13315 1/20 0.43
TBXA2R P21731 1/20 0.43
EPAS1 Q99814 1/20 0.43
TLR9 Q9NR96 1/20 0.42
ERN1 O75460 1/20 0.42
HTT P42858 1/20 0.41

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
Nitrofen SCHEMBL38981 0.82 PDE7A (0.68) PDE7AHSPB1ALDH1A1MAPTMEN1
Nitrofen SCHEMBL29364713 0.82 PDE7A (0.68) PDE7AHSPB1ALDH1A1MAPTMEN1
Nitrofen SCHEMBL1702412 0.82 PDE7A (0.68) PDE7AHSPB1ALDH1A1MAPTMEN1
SCHEMBL11155232 0.81 PDE7A (0.49) PDE7AHSPB1ALDH1A1MAPTMEN1
Nitrofen SCHEMBL28057303 0.81 PDE7A (0.67) PDE7AHSPB1ALDH1A1MAPTMEN1
SCHEMBL11475236 0.81 PDE7A (0.76) PDE7AHSPB1ALDH1A1MAPTMEN1
SCHEMBL6923805 0.80 TBXA2R (0.49) PDE7AHSPB1ALDH1A1MAPTMEN1
SCHEMBL11577394 0.80 HSPB1 (0.68) PDE7AHSPB1ALDH1A1MAPTMEN1
Nitrofen SCHEMBL28102764 0.80 PDE7A (0.58) PDE7AHSPB1ALDH1A1MAPTMEN1
SCHEMBL9236453 0.79 PDE7A (0.54) PDE7AHSPB1ALDH1A1MAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8134001-B2 Spiroindolinone derivatives HOFFMANN-LA ROCHE INC. (US) 2012-03-13 US disclosed
US-8134001-B2 Spiroindolinone derivatives HOFFMANN-LA ROCHE INC. (US) 2012-03-13 US disclosed
EP-2229396-B1 SPIROINDOLINONE DERIVATIVES HOFFMANN LA ROCHE (CH) 2011-08-10 EP disclosed
EP-2229396-A1 SPIROINDOLINONE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2010-09-22 EP disclosed
WO-2009077357-A1 SPIROINDOLINONE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-06-25 WO disclosed
WO-2009077357-A1 SPIROINDOLINONE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-06-25 WO disclosed
US-20090156610-A1 Spiroindolinone Derivatives DING QINGJIE 2009-06-18 US disclosed
US-20090156610-A1 Spiroindolinone Derivatives DING QINGJIE 2009-06-18 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-20090156610-A1 Spiroindolinone Derivatives SDHA, AR, XPOT PDE7A 4370/4885HSPB1 2684/4885ALDH1A1 138/4885

“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.