SCHEMBL3103512

SCHEMBL3103512

C=C(C(=O)O)C(O)c1cccnc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.53
HPGD P15428 1/20 0.47
CFTR P13569 1/20 0.47
SLC6A2 P23975 1/20 0.47
SLC6A4 P31645 1/20 0.47
SLC6A3 Q01959 1/20 0.47
GOPC Q9HD26 1/20 0.47
KCNN4 O15554 2/20 0.46
KCNA5 P22460 2/20 0.46
GRM8 O00222 1/20 0.45
GRM4 Q14833 1/20 0.45
TBXAS1 P24557 3/20 0.43
GAA P10253 2/20 0.43
ALDH1A1 P00352 1/20 0.43
APP P05067 1/20 0.43
HCAR3 P49019 1/20 0.43
HCAR2 Q8TDS4 1/20 0.43
LMNA P02545 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CYP2C9 P11712 1/20 0.42

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
SCHEMBL30360505 1.00 SMN1; SMN2 (0.53) SMN1; SMN2HPGDCFTRSLC6A2SLC6A4
SCHEMBL2684159 0.82 SMN1; SMN2 (0.60) SMN1; SMN2CFTRSLC6A2SLC6A4SLC6A3
SCHEMBL197024 0.82 SMN1; SMN2 (0.60) SMN1; SMN2CFTRSLC6A2SLC6A4SLC6A3
SCHEMBL31404936 0.82 SMN1; SMN2 (0.60) SMN1; SMN2CFTRSLC6A2SLC6A4SLC6A3
SCHEMBL10170624 0.82 SMN1; SMN2 (0.60) SMN1; SMN2CFTRSLC6A2SLC6A4SLC6A3
SCHEMBL13817460 0.81 SMN1; SMN2 (0.47) SMN1; SMN2HPGDCFTRSLC6A2SLC6A4
SCHEMBL1562538 0.79 HPGD (0.70) HPGDALDH1A1LMNAKDM4E
SCHEMBL5858513 0.79 HPGD (0.70) HPGDALDH1A1LMNAKDM4E
SCHEMBL2971437 0.79 HPGD (0.70) HPGDALDH1A1LMNAKDM4E
SCHEMBL27847151 0.78 CYP17A1 (0.45) SMN1; SMN2HPGDCFTRSLC6A2SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101909452-A Fungicidal mixtures III BASF SE 2010-12-08 CN claimed
CN-115894247-A Preparation method of 1,3-disubstituted-2-acetone compound and intermediate thereof 迈克斯(如东)化工有限公司 2023-04-04 CN disclosed
EP-2614061-B1 QUINOLINE AND QUINOXALINE DERIVATIVES AS KINASE INHIBITORS UCB PHARMA SA (BE) 2015-05-20 EP disclosed
CN-101909452-A Fungicidal mixtures III BASF SE 2010-12-08 CN disclosed
CN-101909452-A Fungicidal mixtures III BASF SE 2010-12-08 CN disclosed
US-20100273649-A1 Fungicidal Mixtures III BASF SE (DE) 2010-10-28 US disclosed
US-20100273649-A1 Fungicidal Mixtures III BASF SE (DE) 2010-10-28 US disclosed
EP-2219459-A2 FUNGICIDAL MIXTURES III BASF SE (DE) 2010-08-25 EP disclosed
EP-2219459-A2 FUNGICIDAL MIXTURES III BASF SE (DE) 2010-08-25 EP disclosed
WO-2009063076-A3 FUNGICIDAL MIXTURES III BASF SE (DE) 2010-05-14 WO disclosed
WO-2009063076-A2 FUNGICIDAL MIXTURES III BASF SE (DE) 2009-05-22 WO disclosed
WO-2009063076-A2 FUNGICIDAL MIXTURES III BASF SE (DE) 2009-05-22 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-20100273649-A1 Fungicidal Mixtures III CBR3, CBR1, NOX3 SMN1; SMN2 4075/4885HPGD 2184/4885CFTR 441/4885

“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.