SCHEMBL8048770

SCHEMBL8048770

C=C(/N=C/c1cccc(OC)c1)O[Si](C)(C)C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM5 P08912 1/20 0.55
TAAR1 Q96RJ0 1/20 0.50
CYP3A4 P08684 2/20 0.46
CYP1A2 P05177 1/20 0.46
RECQL P46063 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
MAPT P10636 2/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
KDM4E B2RXH2 1/20 0.43
RELA Q04206 1/20 0.43
G6PC1 P35575 1/20 0.43
NPC1 O15118 4/20 0.42
RAB9A P51151 4/20 0.42
POLB P06746 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
PKM P14618 1/20 0.42
PTGS2 P35354 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
SCHEMBL8048676 0.82 NPC1 (0.50) CYP1A2TDP1MAPTKDM4ERELA
SCHEMBL7839970 0.81 NPC1 (0.49) CHRM5CYP3A4CYP1A2TDP1MAPT
SCHEMBL13929157 0.81 APP (0.38) CHRM5TAAR1NPC1
SCHEMBL4220935 0.81 CHRM5 (0.49) CHRM5CYP1A2MAPTCYP2D6CYP2C9
SCHEMBL7842958 0.81 CHRM5 (0.49) CHRM5CYP1A2MAPTCYP2D6CYP2C9
SCHEMBL13928900 0.80 LMNA (0.39) TAAR1MAPTKDM4ERAB9APKM
SCHEMBL8048796 0.78 GRIN2D (0.48) MAPTKDM4ESMN1; SMN2
SCHEMBL8049081 0.74 ALDH1A1 (0.50) TAAR1MAPTKDM4ENPC1RAB9A
SCHEMBL8043325 0.74 PLA2G7 (0.41) MAPTKDM4ERELANPC1RAB9A
SCHEMBL2121152 0.73 CHRM5 (0.72) CHRM5TAAR1CYP3A4CYP1A2RECQL

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-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-20080188506-A1 SPIROINDOLINONE DERIVATIVES DING QINGJIE 2008-08-07 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
WO-2007104664-A1 SPIROINDOLINONE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-09-20 WO disclosed
US-20070213341-A1 Spiroindolinone derivatives CHEN LI 2007-09-13 US disclosed
US-20070213341-A1 Spiroindolinone derivatives CHEN LI 2007-09-13 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 (3 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-20080009486-A1 SPIROINDOLINONE DERIVATIVES RB1, PKD1, KRAS CHRM5 4236/4885TAAR1 2332/4885CYP3A4 756/4885
US-20080188506-A1 SPIROINDOLINONE DERIVATIVES MKI67, MCL1, BAD CHRM5 4885/4885TAAR1 4286/4885CYP3A4 492/4885
US-20070213341-A1 Spiroindolinone derivatives MKI67, PKD1, RCC2 CHRM5 4882/4885TAAR1 4173/4885CYP3A4 407/4885

“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.