SCHEMBL275895

SCHEMBL275895

COc1ccc(Oc2ccc(F)cc2C=O)cc1

nearest known ligand 0.66

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.66
LMNA P02545 3/20 0.66
CYP1A2 P05177 1/20 0.66
CYP2C9 P11712 1/20 0.66
CYP2C19 P33261 1/20 0.66
NFE2L2 Q16236 3/20 0.49
GAA P10253 2/20 0.49
KMT2A Q03164 1/20 0.46
ERN1 O75460 3/20 0.46
SCN8A Q9UQD0 1/20 0.45
SCN10A Q9Y5Y9 1/20 0.45
HPGD P15428 1/20 0.45
HTT P42858 1/20 0.45
NPSR1 Q6W5P4 1/20 0.44
MAPT P10636 1/20 0.44
TRIM24 O15164 1/20 0.44
TYR P14679 1/20 0.44
TRIM33 Q9UPN9 1/20 0.44
CYP2A6 P11509 1/20 0.43

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
SCHEMBL274702 0.90 LMNA (0.52) ALDH1A1LMNACYP1A2CYP2C9CYP2C19
SCHEMBL12437574 0.84 KMT2A (0.46) ALDH1A1LMNACYP1A2CYP2C9CYP2C19
SCHEMBL18570625 0.84 SCN8A (0.50) ALDH1A1LMNACYP1A2CYP2C9CYP2C19
SCHEMBL16110966 0.83 LMNA (0.68) ALDH1A1LMNACYP1A2CYP2C9CYP2C19
SCHEMBL18570379 0.83 CACNA1C (0.50) ALDH1A1LMNACYP1A2CYP2C9CYP2C19
SCHEMBL18570387 0.83 SCN8A (0.48) ALDH1A1LMNACYP1A2CYP2C9CYP2C19
SCHEMBL18570918 0.83 SCN8A (0.48) ALDH1A1LMNACYP1A2CYP2C9CYP2C19
SCHEMBL13815387 0.83 ALDH1A1 (0.46) ALDH1A1LMNACYP1A2CYP2C9CYP2C19
SCHEMBL29432755 0.83 ERN1 (0.56) ALDH1A1LMNANFE2L2KMT2AERN1
SCHEMBL273404 0.83 ERN1 (0.56) ALDH1A1LMNANFE2L2KMT2AERN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3239134-B1 PYRIDONE AMIDES AS MODULATORS OF SODIUM CHANNELS VERTEX PHARMA (US) 2020-12-23 EP disclosed
EP-2953931-B1 PYRIDONE AMIDES AS MODULATORS OF SODIUM CHANNELS VERTEX PHARMA (US) 2017-03-01 EP disclosed
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
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-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
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 ALDH1A1 138/4885LMNA 549/4885CYP1A2 277/4885

“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.