SCHEMBL4767741

SCHEMBL4767741

COn1c(=O)cc(C)[nH]c1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.43
CA9 Q16790 1/20 0.40
ALDH1A1 P00352 8/20 0.40
LMNA P02545 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
HTT P42858 1/20 0.40
RECQL P46063 1/20 0.40
HPGD P15428 5/20 0.36
CA1 P00915 1/20 0.35
KDM4E B2RXH2 4/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
ATM Q13315 1/20 0.34
LPO P22079 1/20 0.33
PTGS1 P23219 1/20 0.33
MEN1 O00255 1/20 0.33
POLB P06746 1/20 0.33
KMT2A Q03164 1/20 0.33
MAOA P21397 1/20 0.33

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
SCHEMBL2632820 0.71 YTHDF2 (0.52) SMN1; SMN2ALDH1A1LMNAGAAHTT
SCHEMBL28263642 0.70 SMN1; SMN2 (0.46) SMN1; SMN2ALDH1A1LMNAGAAMAPT
SCHEMBL27816351 0.70 SMN1; SMN2 (0.50) SMN1; SMN2ALDH1A1LMNAGAAMAPT
SCHEMBL24420566 0.70 SMN1; SMN2 (0.46) SMN1; SMN2ALDH1A1LMNAGAAMAPT
SCHEMBL27625945 0.69 SMN1; SMN2 (0.39) SMN1; SMN2ALDH1A1LMNAGAAMAPT
SCHEMBL27054317 0.67 SMN1; SMN2 (0.43) SMN1; SMN2CA9ALDH1A1LMNAGAA
SCHEMBL4771370 0.67 ALDH1A1 (0.53) SMN1; SMN2ALDH1A1LMNAGAAMAPT
SCHEMBL8768828 0.65 SMN1; SMN2 (0.42) SMN1; SMN2ALDH1A1GAACA1POLB
SCHEMBL27402173 0.65 SMN1; SMN2 (0.42) SMN1; SMN2ALDH1A1GAAMAPTHTT
SCHEMBL4762572 0.65 ALDH1A1 (0.63) ALDH1A1LMNAGAAMAPTHTT

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1678181-B1 A2B ADENOSINE RECEPTOR ANTAGONISTS CV THERAPEUTICS INC (US) 2008-12-31 EP disclosed
US-7449473-B2 Substituted pyrrolo[3,2-d]pyrimidin-2,4-diones as A2b adenosine receptor antagonists CV THERAPEUTICS, INC. (US) 2008-11-11 US disclosed
EP-1678181-A2 A2B ADENOSINE RECEPTOR ANTAGONISTS CV THERAPEUTICS, INC. (US) 2006-07-12 EP disclosed
US-20050119287-A1 A2B adenosine receptor antagonists GILEAD PALO ALTO, INC. 2005-06-02 US disclosed
WO-2005042534-A2 A2B ADENOSINE RECEPTOR ANTAGONISTS CV THERAPEUTICS, INC. (US) 2005-05-12 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 (1 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-20050119287-A1 A2B adenosine receptor antagonists ADORA2B, ADORA2A, ADORA3 SMN1; SMN2 3995/4885CA9 3464/4885ALDH1A1 1178/4885

“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.