SCHEMBL2108475

SCHEMBL2108475

N#Cc1ccc(-c2coc3cc(OCc4nnc(-c5cc(F)cc(C(F)(F)F)c5)o4)ccc3c2=O)cc1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH2 P05091 15/20 0.45
MAOA P21397 7/20 0.45
MAOB P27338 7/20 0.45
NPC1 O15118 1/20 0.43
MAPT P10636 1/20 0.43
PKM P14618 1/20 0.43
HRH3 Q9Y5N1 2/20 0.42
KIF11 P52732 1/20 0.41
TERT O14746 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
SCHEMBL2108631 0.91 ALDH2 (0.56) ALDH2MAOAMAOB
SCHEMBL2108076 0.86 ALDH2 (0.44) ALDH2MAOAMAOBHRH3
SCHEMBL3724629 0.82 ALDH2 (0.58) ALDH2MAOAMAOB
SCHEMBL2106194 0.81 ALDH2 (0.55) ALDH2MAOAMAOB
SCHEMBL2107250 0.79 ALDH2 (0.61) ALDH2MAOAMAOBNPC1
SCHEMBL2108380 0.78 PPARG (0.42) ALDH2MAOAMAOBMAPT
SCHEMBL2107678 0.78 ALDH2 (0.60) ALDH2MAOAMAOB
SCHEMBL3662394 0.78 ALDH2 (0.48) ALDH2MAOAMAOB
SCHEMBL2108174 0.78 ALDH2 (0.57) ALDH2MAOAMAOB
SCHEMBL3623551 0.77 ALDH2 (0.44) 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 9 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-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-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 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.