SCHEMBL2107745

SCHEMBL2107745

C[Si](C)(C)CCOC(=O)c1cccc(COc2ccc3c(=O)c(-c4cccc(C#N)c4)coc3c2)c1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAOB P27338 9/20 0.46
MAPT P10636 4/20 0.44
GAA P10253 1/20 0.44
ALDH1A1 P00352 3/20 0.43
ALDH2 P05091 13/20 0.42
MAOA P21397 8/20 0.42
TERT O14746 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
KDM4E B2RXH2 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 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
SCHEMBL2107761 0.85 ALDH2 (0.48) MAOBMAPTGAAALDH2MAOA
SCHEMBL2108937 0.84 MAPT (0.44) MAOBMAPTGAAALDH1A1ALDH2
SCHEMBL2109686 0.79 ALDH2 (0.62) MAOBALDH2MAOA
SCHEMBL2110400 0.78 ALDH2 (0.64) MAOBALDH2MAOA
SCHEMBL2108855 0.78 ALDH2 (0.53) MAOBMAPTGAAALDH2MAOA
SCHEMBL2107551 0.77 ALDH2 (0.52) MAOBMAPTGAAALDH2MAOA
SCHEMBL2107995 0.76 MAOB (0.56) MAOBALDH2MAOATERT
SCHEMBL3419330 0.76 ALDH2 (0.59) MAOBMAPTGAAALDH1A1ALDH2
SCHEMBL3421810 0.75 MAPT (0.61) MAOBMAPTGAAALDH1A1ALDH2
SCHEMBL2107863 0.75 ALDH2 (0.63) MAOBMAPTALDH1A1ALDH2MAOA

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-8158810-B2 ALDH-2 inhibitors in the treatment of addiction GILEAD SCIENCES, INC. (US) 2012-04-17 US claimed
EP-2231149-A2 ALDH-2 INHIBITORS IN THE TREATMENT OF PSYCHIATRIC DISORDERS CV Therapeutics Inc. (US) 2010-09-29 EP claimed
US-20090209533-A1 ALDH-2 INHIBITORS IN THE TREATMENT OF ADDICTION AMYGDALA NEUROSCIENCES, INC. 2009-08-20 US claimed
US-20090124672-A1 ALDH-2 INHIBITORS IN THE TREATMENT OF PSYCHIATRIC DISORDERS AMYGDALA NEUROSCIENCES, INC. 2009-05-14 US claimed
WO-2009061924-A2 ALDH-2 INHIBITORS IN THE TREATMENT OF PSYCHIATRIC DISORDERS CV THERAPEUTICS, INC. (US) 2009-05-14 WO claimed
EP-2046769-A2 ALDH-2 INHIBITORS IN THE TREATMENT OF ADDICTION CV THERAPEUTICS, INC. (US) 2009-04-15 EP claimed
US-20080032995-A1 ALDH-2 INHIBITORS IN THE TREATMENT OF DRUG ADDICTION AMYGDALA NEUROSCIENCES, INC. 2008-02-07 US claimed
WO-2008014497-A2 ALDH-2 INHIBITORS IN THE TREATMENT OF ADDICTION CV THERAPEUTICS, INC. (US) 2008-01-31 WO claimed

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-20090209533-A1 ALDH-2 INHIBITORS IN THE TREATMENT OF ADDICTION ALDH1A1, ADH1A, ALDH3A1 MAOB 47/4885MAPT 1815/4885GAA 1106/4885
US-20080032995-A1 ALDH-2 INHIBITORS IN THE TREATMENT OF DRUG ADDICTION ALDH1A1, ADH1A, ALDH3A1 MAOB 45/4885MAPT 1778/4885GAA 937/4885
US-20090124672-A1 ALDH-2 INHIBITORS IN THE TREATMENT OF PSYCHIATRIC DISORDERS ALDH2, ALDH1A2, ALDH1A1 MAOB 30/4885MAPT 2549/4885GAA 352/4885

“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.