SCHEMBL279006

SCHEMBL279006

C=C(/N=C/c1cc(Cl)ccc1I)O[Si](C)(C)C

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.34
CASP1 P29466 2/20 0.33
ALDH1A1 P00352 1/20 0.33
CASP7 P55210 1/20 0.33
HSD17B10 Q99714 1/20 0.32
KDM4E B2RXH2 1/20 0.30
KDM4C Q9H3R0 1/20 0.30
MAPT P10636 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL13929107 0.86 HPGD (0.35) HPGDTSHRCASP1ALDH1A1CASP7
SCHEMBL7839404 0.84 ALDH1A1 (0.36) HPGDTSHRCASP1ALDH1A1CASP7
SCHEMBL7839894 0.84 HPGD (0.35) HPGDTSHRCASP1ALDH1A1CASP7
SCHEMBL278945 0.83 HPGD (0.34) HPGDTSHRCASP1ALDH1A1CASP7
SCHEMBL7841968 0.82 KMT2A (0.42) HPGDTSHRALDH1A1KDM4EMAPT
SCHEMBL275642 0.77 HPGD (0.40) HPGDTSHRCASP1ALDH1A1CASP7
SCHEMBL278953 0.77 HPGD (0.40) HPGDTSHRCASP1ALDH1A1CASP7
SCHEMBL13928893 0.76 MAOB (0.40) ALDH1A1KDM4EMAPTKMT2A
SCHEMBL279490 0.75 HPGD (0.36) HPGDTSHR
SCHEMBL274631 0.75 HPGD (0.36) HPGDTSHR

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 6 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-20090156610-A1 Spiroindolinone Derivatives DING QINGJIE 2009-06-18 US disclosed
US-7495007-B2 Spiroindolinone derivatives HOFFMANN-LA ROCHE INC. (US) 2009-02-24 US disclosed
US-7495007-B2 Spiroindolinone derivatives HOFFMANN-LA ROCHE INC. (US) 2009-02-24 US disclosed
US-20080009486-A1 SPIROINDOLINONE DERIVATIVES HOFFMANN-LA ROCHE INC. 2008-01-10 US disclosed
US-20080009486-A1 SPIROINDOLINONE DERIVATIVES HOFFMANN-LA ROCHE INC. 2008-01-10 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-20090156610-A1 Spiroindolinone Derivatives SDHA, AR, XPOT HPGD 482/4885TSHR 1261/4885CASP1 1016/4885
US-20080009486-A1 SPIROINDOLINONE DERIVATIVES RB1, PKD1, KRAS HPGD 1805/4885TSHR 744/4885CASP1 955/4885

“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.