SCHEMBL4090429

SCHEMBL4090429

COc1ccccc1-c1nc(COc2ccc3c(=O)c(-c4ccc(F)cc4)coc3c2)no1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.50
MAPT P10636 6/20 0.50
MEN1 O00255 5/20 0.50
KMT2A Q03164 5/20 0.50
POLB P06746 1/20 0.50
TERT O14746 1/20 0.49
NPC1 O15118 4/20 0.49
RAB9A P51151 4/20 0.49
KDM4E B2RXH2 4/20 0.49
HPGD P15428 4/20 0.49
SMN1; SMN2 Q16637 4/20 0.49
CYP3A4 P08684 3/20 0.49
TP53 P04637 2/20 0.49
ADORA3 P0DMS8 1/20 0.49
ADORA2A P29274 1/20 0.49
ADORA2B P29275 1/20 0.49
ADORA1 P30542 1/20 0.49
ALDH2 P05091 4/20 0.48
MAOA P21397 3/20 0.48
MAOB P27338 3/20 0.48

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
SCHEMBL3733212 0.95 TERT (0.55) ALDH1A1MAPTMEN1KMT2APOLB
SCHEMBL2107604 0.93 XDH (0.57) ALDH1A1MAPTMEN1KMT2APOLB
SCHEMBL2108143 0.85 ALDH2 (0.60) ALDH1A1NPC1RAB9AKDM4EHPGD
SCHEMBL4095131 0.82 ALDH2 (0.49) ALDH1A1TERTNPC1RAB9AKDM4E
SCHEMBL4090316 0.81 XDH (0.66) ALDH1A1MAPTMEN1KMT2ATERT
SCHEMBL2107771 0.81 ALDH2 (0.49) ALDH1A1TERTNPC1RAB9AKDM4E
SCHEMBL2108020 0.81 ALDH2 (0.61) ALDH2MAOAMAOB
SCHEMBL3666659 0.80 ALDH2 (0.59) ALDH2MAOAMAOB
SCHEMBL2108533 0.80 ALDH2 (0.59) ALDH2MAOAMAOB
SCHEMBL3670268 0.80 XDH (0.53) ALDH1A1MAPTMEN1KMT2ANPC1

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 3 patents. 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

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 ALDH1A1 1/4885MAPT 1815/4885MEN1 4731/4885
US-20080032995-A1 ALDH-2 INHIBITORS IN THE TREATMENT OF DRUG ADDICTION ALDH1A1, ADH1A, ALDH3A1 ALDH1A1 1/4885MAPT 1778/4885MEN1 4719/4885
US-20090124672-A1 ALDH-2 INHIBITORS IN THE TREATMENT OF PSYCHIATRIC DISORDERS ALDH2, ALDH1A2, ALDH1A1 ALDH1A1 3/4885MAPT 2549/4885MEN1 4731/4885

“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.