SCHEMBL24218261

SCHEMBL24218261

C=CNc1ccc(C(CC)CC)cc1C

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ HDAC8 Q9BY41 1/20 0.33
▸ HDAC6 Q9UBN7 1/20 0.33
▸ ADRA2A P08913 1/20 0.31
▸ ADRA2B P18089 1/20 0.31
▸ ADRA2C P18825 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL18500399 0.82 HDAC8 (0.33) HDAC8HDAC6ADRA2AADRA2BADRA2C
SCHEMBL21565742 0.81 LMNA (0.42) GAAHPGDSMN1; SMN2
SCHEMBL18653145 0.77 GAA (0.30) GAAHPGDSMN1; SMN2
SCHEMBL24622795 0.74 — —
SCHEMBL21323167 0.74 RAPGEF4 (0.37) SMN1; SMN2
SCHEMBL10394834 0.72 RAPGEF4 (0.50) HDAC8HDAC6GAAHPGDSMN1; SMN2
SCHEMBL18598339 0.72 ADRA2A (0.39) HDAC8HDAC6ADRA2AADRA2BADRA2C
SCHEMBL21916424 0.70 HDAC8 (0.33) HDAC8HDAC6ADRA2AADRA2BADRA2C
SCHEMBL24059613 0.70 ESR1 (0.41) HDAC8HDAC6GAAHPGDSMN1; SMN2
SCHEMBL18937422 0.69 MAPT (0.50) GAAHPGDSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220024907-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY RIGEL PHARMACEUTICALS, INC. (US) 2022-01-27 — — 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 (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-20220024907-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY JAK3, JAK2, JAK1 HDAC8 2505/4885HDAC6 621/4885ADRA2A 4470/4885

“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.

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