SCHEMBL21884652

SCHEMBL21884652

N#Cc1ccc(OCc2ccccc2)c(C(=O)OCc2ccccc2)c1Oc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.48
XDH P47989 3/20 0.47
SLC6A2 P23975 1/20 0.41
SLC6A3 Q01959 1/20 0.41
KMT2A Q03164 1/20 0.41
TDP1 Q9NUW8 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
SCHEMBL23874985 0.90 XDH (0.52) MAOBXDHKMT2A
SCHEMBL21884785 0.89 MAOB (0.47) MAOBXDH
SCHEMBL21807879 0.83 XDH (0.49) MAOBXDHSLC6A2SLC6A3KMT2A
SCHEMBL21884784 0.81 XDH (0.41) MAOBXDH
SCHEMBL23875066 0.80 XDH (0.41) MAOBXDH
SCHEMBL5024877 0.78 XDH (0.60) MAOBXDHSLC6A2SLC6A3KMT2A
SCHEMBL1534113 0.77 XDH (0.48) MAOBXDHKMT2ATDP1
SCHEMBL23874987 0.76 PTPN1 (0.40) MAOBXDH
SCHEMBL3926837 0.74 TDP1 (0.58) SLC6A2SLC6A3KMT2ATDP1
SCHEMBL23874972 0.74 XDH (0.55) MAOBXDH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210299070-A1 METHODS OF TREATING CREATINE TRANSPORTER DEFICIENCY JNANA THERAPEUTICS INC. 2021-09-30 US disclosed
WO-2020061473-A1 SMALL MOLECULES TARGETING MUTANT MAMMALIAN PROTEINS JNANA THERAPEUTICS, INC. (US) 2020-03-26 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-20210299070-A1 METHODS OF TREATING CREATINE TRANSPORTER DEFICIENCY SLC19A1, SLC1A5, SLC1A2 MAOB 2027/4885XDH 1075/4885SLC6A2 28/4885

“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.