SCHEMBL2107502

SCHEMBL2107502

CCOC(=O)c1cccc(-c2coc3cc(OCCc4nc(-c5cc(F)cc(C(F)(F)F)c5)no4)ccc3c2=O)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.45
GAA P10253 1/20 0.45
ALDH2 P05091 9/20 0.42
MAOA P21397 4/20 0.42
MAOB P27338 4/20 0.42
FFAR1 O14842 1/20 0.40
ALDH1A1 P00352 3/20 0.39
PPARG P37231 1/20 0.39
PPARA Q07869 1/20 0.39
TSHR P16473 2/20 0.39
LMNA P02545 1/20 0.39
POLB P06746 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
KDM4E B2RXH2 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL2108543 0.85 MAPT (0.45) MAPTGAAALDH2MAOAMAOB
SCHEMBL2107674 0.84 ALDH2 (0.56) ALDH2MAOAMAOB
SCHEMBL4094968 0.78 ALDH2 (0.55) ALDH2MAOAMAOB
SCHEMBL3720140 0.78 PPARG (0.46) MAPTGAAALDH2MAOAMAOB
SCHEMBL2106851 0.76 PPARG (0.47) MAPTGAAALDH2MAOAMAOB
SCHEMBL4096021 0.75 FFAR1 (0.57) MAPTALDH2MAOAMAOBFFAR1
SCHEMBL2108695 0.74 FFAR1 (0.55) ALDH2MAOAMAOBFFAR1
SCHEMBL2109111 0.74 ALDH2 (0.44) ALDH2MAOAMAOB
SCHEMBL4090857 0.73 ALDH2 (0.45) ALDH2MAOAMAOB
SCHEMBL4102402 0.71 ALDH2 (0.43) ALDH2MAOAMAOB

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 11 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 disclosed
EP-2254878-A1 ALDH-2 INHIBITORS IN THE TREATMENT OF ADDICTION Gilead Palo Alto, Inc. (US) 2010-12-01 EP disclosed
EP-2231149-A2 ALDH-2 INHIBITORS IN THE TREATMENT OF PSYCHIATRIC DISORDERS CV Therapeutics Inc. (US) 2010-09-29 EP disclosed
US-20090209533-A1 ALDH-2 INHIBITORS IN THE TREATMENT OF ADDICTION AMYGDALA NEUROSCIENCES, INC. 2009-08-20 US disclosed
WO-2009094028-A1 ALDH-2 INHIBITORS IN THE TREATMENT OF ADDICTION CV THERAPEUTICS, INC. (US) 2009-07-30 WO disclosed
WO-2009061924-A2 ALDH-2 INHIBITORS IN THE TREATMENT OF PSYCHIATRIC DISORDERS CV THERAPEUTICS, INC. (US) 2009-05-14 WO disclosed
US-20090124672-A1 ALDH-2 INHIBITORS IN THE TREATMENT OF PSYCHIATRIC DISORDERS AMYGDALA NEUROSCIENCES, INC. 2009-05-14 US disclosed
EP-2046769-A2 ALDH-2 INHIBITORS IN THE TREATMENT OF ADDICTION CV THERAPEUTICS, INC. (US) 2009-04-15 EP disclosed
US-20080207610-A1 ALDH-2 INHIBITORS IN THE TREATMENT OF ADDICTION AMYGDALA NEUROSCIENCES, INC. 2008-08-28 US disclosed
US-20080032995-A1 ALDH-2 INHIBITORS IN THE TREATMENT OF DRUG ADDICTION AMYGDALA NEUROSCIENCES, INC. 2008-02-07 US disclosed
WO-2008014497-A2 ALDH-2 INHIBITORS IN THE TREATMENT OF ADDICTION CV THERAPEUTICS, INC. (US) 2008-01-31 WO 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 (4 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-20080207610-A1 ALDH-2 INHIBITORS IN THE TREATMENT OF ADDICTION ALDH1A1, ADH1A, ALDH3A1 MAPT 1815/4885GAA 1106/4885ALDH2 5/4885
US-20090209533-A1 ALDH-2 INHIBITORS IN THE TREATMENT OF ADDICTION ALDH1A1, ADH1A, ALDH3A1 MAPT 1815/4885GAA 1106/4885ALDH2 5/4885
US-20080032995-A1 ALDH-2 INHIBITORS IN THE TREATMENT OF DRUG ADDICTION ALDH1A1, ADH1A, ALDH3A1 MAPT 1778/4885GAA 937/4885ALDH2 4/4885
US-20090124672-A1 ALDH-2 INHIBITORS IN THE TREATMENT OF PSYCHIATRIC DISORDERS ALDH2, ALDH1A2, ALDH1A1 MAPT 2549/4885GAA 352/4885ALDH2 1/4885

“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.