SCHEMBL23259451

SCHEMBL23259451

O=C(OCc1ccccc1)c1cc(N2CCNCC2)ccc1OCc1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 12/20 0.62
HTR1A P08908 1/20 0.52
SLC6A2 P23975 1/20 0.52
SLC6A4 P31645 1/20 0.52
SLC6A3 Q01959 1/20 0.52
CYP3A4 P08684 2/20 0.48
SLCO1B1 Q9Y6L6 2/20 0.48
PARP1 P09874 2/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
HTR6 P50406 1/20 0.47
HTT P42858 1/20 0.44
KCNH2 Q12809 1/20 0.44
FAAH O00519 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
SCHEMBL1315758 0.88 LRRK2 (0.61) LRRK2CYP3A4SLCO1B1MEN1KMT2A
SCHEMBL552011 0.86 LRRK2 (0.62) LRRK2CYP3A4SLCO1B1MEN1KMT2A
SCHEMBL1647233 0.86 LRRK2 (0.62) LRRK2HTR1ASLC6A4CYP3A4SLCO1B1
SCHEMBL23259450 0.86 ME2 (0.57) LRRK2MEN1KMT2ASMN1; SMN2NPSR1
SCHEMBL7090795 0.83 LRRK2 (0.46) LRRK2HTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL2303266 0.79 ALDH1A1 (0.61) HTR1ASLC6A2SLC6A4SLC6A3MEN1
SCHEMBL15127660 0.78 ALDH1A1 (0.54) LRRK2HTR1ASLC6A4CYP3A4SLCO1B1
SCHEMBL2766477 0.78 HTR1A (0.59) LRRK2HTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL2767207 0.78 SLC6A4 (0.59) LRRK2HTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL1316513 0.78 LRRK2 (0.63) LRRK2CYP3A4SLCO1B1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220127266-A1 MALIC ENZYME INHIBITORS SUN PHARMA ADVANCED RESEARCH COMPANY LTD (IN) 2022-04-28 US disclosed
US-11225480-B2 Malic enzyme inhibitors SUN PHARMA ADVANCED RESEARCH COMPANY LTD (IN) 2022-01-18 US disclosed
WO-2021074898-A1 MALIC ENZYME INHIBITORS SUN PHARMA ADVANCED RESEARCH COMPANY LIMITED (IN) 2021-04-22 WO disclosed
US-20210115038-A1 MALIC ENZYME INHIBITORS SUN PHARMA ADVANCED RESEARCH COMPANY LTD (IN) 2021-04-22 US 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 (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-20210115038-A1 MALIC ENZYME INHIBITORS ME1, ME2, ME3 LRRK2 953/4885HTR1A 4870/4885SLC6A2 4562/4885
US-11225480-B2 Malic enzyme inhibitors ME1, RNASE1, ME2 LRRK2 693/4885HTR1A 4766/4885SLC6A2 4426/4885
US-20220127266-A1 MALIC ENZYME INHIBITORS ME1, ME2, ME3 LRRK2 953/4885HTR1A 4870/4885SLC6A2 4562/4885

“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.