SCHEMBL2106201

SCHEMBL2106201

C[C@@H](Oc1ccc2c(=O)c(-c3ccc(O)cc3)coc2c1)c1nc(-c2cc(F)cc(C(F)(F)F)c2)no1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH2 P05091 18/20 0.54
MAOA P21397 9/20 0.54
MAOB P27338 9/20 0.54
XDH P47989 1/20 0.48
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
TP53 P04637 1/20 0.44
CYP3A4 P08684 1/20 0.44
BCL2 P10415 1/20 0.44
CYP2D6 P10635 1/20 0.44
MAPT P10636 1/20 0.44
CYP2C9 P11712 1/20 0.44
HPGD P15428 1/20 0.44
CYP2C19 P33261 1/20 0.44
IL2 P60568 1/20 0.44
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CYP1B1 Q16678 1/20 0.44
HSD17B10 Q99714 1/20 0.44

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
SCHEMBL2108442 1.00 ALDH2 (0.54) ALDH2MAOAMAOBXDHKDM4E
SCHEMBL2107865 0.84 XDH (0.48) ALDH2MAOAMAOBXDHKDM4E
SCHEMBL4094968 0.83 ALDH2 (0.55) ALDH2MAOAMAOB
SCHEMBL2107674 0.82 ALDH2 (0.56) ALDH2MAOAMAOB
SCHEMBL2107639 0.77 ALDH2 (0.55) ALDH2MAOAMAOB
SCHEMBL2107513 0.76 ALDH2 (0.56) ALDH2MAOAMAOB
SCHEMBL2107214 0.76 ALDH2 (0.65) ALDH2MAOAMAOBXDHKDM4E
SCHEMBL2108174 0.75 ALDH2 (0.57) ALDH2MAOAMAOB
SCHEMBL2109111 0.74 ALDH2 (0.44) ALDH2MAOAMAOB
SCHEMBL2108189 0.74 ALDH2 (0.62) ALDH2MAOAMAOBXDH

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-20080032995-A1 ALDH-2 INHIBITORS IN THE TREATMENT OF DRUG ADDICTION AMYGDALA NEUROSCIENCES, INC. 2008-02-07 US claimed
US-8158810-B2 ALDH-2 inhibitors in the treatment of addiction GILEAD SCIENCES, INC. (US) 2012-04-17 US disclosed
US-8158810-B2 ALDH-2 inhibitors in the treatment of addiction GILEAD SCIENCES, INC. (US) 2012-04-17 US disclosed
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
US-20090209533-A1 ALDH-2 INHIBITORS IN THE TREATMENT OF ADDICTION AMYGDALA NEUROSCIENCES, INC. 2009-08-20 US disclosed
US-20090209533-A1 ALDH-2 INHIBITORS IN THE TREATMENT OF ADDICTION AMYGDALA NEUROSCIENCES, INC. 2009-08-20 US 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
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-20080207610-A1 ALDH-2 INHIBITORS IN THE TREATMENT OF ADDICTION AMYGDALA NEUROSCIENCES, INC. 2008-08-28 US 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
US-20080032995-A1 ALDH-2 INHIBITORS IN THE TREATMENT OF DRUG ADDICTION AMYGDALA NEUROSCIENCES, INC. 2008-02-07 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
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 ALDH2 5/4885MAOA 62/4885MAOB 47/4885
US-20090209533-A1 ALDH-2 INHIBITORS IN THE TREATMENT OF ADDICTION ALDH1A1, ADH1A, ALDH3A1 ALDH2 5/4885MAOA 62/4885MAOB 47/4885
US-20080032995-A1 ALDH-2 INHIBITORS IN THE TREATMENT OF DRUG ADDICTION ALDH1A1, ADH1A, ALDH3A1 ALDH2 4/4885MAOA 62/4885MAOB 45/4885
US-20090124672-A1 ALDH-2 INHIBITORS IN THE TREATMENT OF PSYCHIATRIC DISORDERS ALDH2, ALDH1A2, ALDH1A1 ALDH2 1/4885MAOA 59/4885MAOB 30/4885

“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.