SCHEMBL23850650

SCHEMBL23850650

BrC1CCCc2cccnc21

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
CXCR4 P61073 15/20 0.40
CYP2D6 P10635 3/20 0.40
CHRM3 P20309 1/20 0.39

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
SCHEMBL12833464 0.78 HDAC1 (0.41) HDAC1HDAC6CXCR4CYP2D6
SCHEMBL5021376 0.78 P2RX7 (0.45) HDAC1HDAC6CXCR4CYP2D6
SCHEMBL10612034 0.78 HDAC1 (0.41) HDAC1HDAC6CXCR4CYP2D6CHRM3
SCHEMBL24804097 0.78 HDAC1 (0.41) HDAC1HDAC6CXCR4CYP2D6
SCHEMBL2084964 0.78 CXCR4 (0.43) HDAC1HDAC6CXCR4CYP2D6
SCHEMBL13857919 0.78 HDAC1 (0.41) HDAC1HDAC6CXCR4CYP2D6
SCHEMBL12891529 0.78 CYP2D6 (0.43) HDAC1HDAC6CXCR4CYP2D6
SCHEMBL2083952 0.78 CXCR4 (0.43) HDAC1HDAC6CXCR4CYP2D6
SCHEMBL12993082 0.78 HDAC1 (0.41) HDAC1HDAC6CXCR4CYP2D6
SCHEMBL1514902 0.78 P2RX7 (0.45) HDAC1HDAC6CXCR4CYP2D6

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-20220017541-A1 INHIBITORS OF ARGINASE Praxis Biotech LLC 2022-01-20 US disclosed
EP-3883938-A1 INHIBITORS OF ARGINASE Praxis Biotech LLC (US) 2021-09-29 EP 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-20220017541-A1 INHIBITORS OF ARGINASE ARG1, ARG2, ARGLU1 HDAC1 132/4885HDAC6 861/4885CXCR4 3523/4885

“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.