SCHEMBL23316882

SCHEMBL23316882

COC(=O)c1ccc(Cn2nnnc2-c2ccco2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.64
TSHR P16473 2/20 0.54
HPGD P15428 1/20 0.54
RAB9A P51151 2/20 0.49
GAA P10253 1/20 0.49
HDAC6 Q9UBN7 3/20 0.48
ADORA2A P29274 2/20 0.47
ADORA1 P30542 2/20 0.47
ADORA3 P0DMS8 1/20 0.47
ADORA2B P29275 1/20 0.47
FAAH O00519 1/20 0.46
HDAC3 O15379 2/20 0.45
HDAC1 Q13547 2/20 0.45
HDAC2 Q92769 2/20 0.45
PTGS1 P23219 1/20 0.45
CYP3A4 P08684 1/20 0.45
HDAC4 P56524 1/20 0.45
HDAC7 Q8WUI4 1/20 0.45
HDAC10 Q969S8 1/20 0.45
HDAC11 Q96DB2 1/20 0.45

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
SCHEMBL20535159 0.85 HDAC6 (0.67) ALDH1A1HDAC6ADORA2AHDAC3HDAC1
SCHEMBL6357277 0.79 ALDH1A1 (1.00) ALDH1A1TSHRHPGDRAB9AGAA
SCHEMBL23316881 0.78 HDAC6 (0.53) RAB9AGAAHDAC6ADORA2AADORA1
SCHEMBL5816704 0.76 P2RX7 (0.65) ALDH1A1TSHRHPGDRAB9AGAA
SCHEMBL23316996 0.75 ALDH1A1 (0.60) ALDH1A1TSHRHPGDRAB9AGAA
SCHEMBL8791207 0.73 ALDH1A1 (0.65) ALDH1A1TSHRHPGDRAB9AGAA
SCHEMBL20534789 0.70 HDAC6 (0.66) ALDH1A1HDAC6ADORA2AADORA1ADORA3
SCHEMBL23317161 0.70 HDAC6 (0.59) ALDH1A1TSHRHPGDRAB9AGAA
SCHEMBL5329593 0.70 KMT2A (0.58) ALDH1A1TSHRRAB9APTGS1KMT2A
SCHEMBL7161071 0.69 SMN1; SMN2 (0.67) ALDH1A1TSHRHPGDRAB9AGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3562810-B1 BENZHYDROXAMIC ACID DERIVATIVES AS SELECTIVE HDAC6 INHIBITORS ITALFARMACO SPA (IT) 2023-05-03 EP disclosed
US-11351178-B2 Selective HDAC6 inhibitors ITALFARMACO SPA (IT) 2022-06-07 US disclosed
US-20210128577-A1 Selective HDAC6 Inhibitors ITALFARMACO S.P.A. (IT) 2021-05-06 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 (2 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-20210128577-A1 Selective HDAC6 Inhibitors HDAC6, HDAC1, HDAC3 ALDH1A1 104/4885TSHR 4046/4885HPGD 1112/4885
US-11351178-B2 Selective HDAC6 inhibitors HDAC6, HDAC1, HDAC3 ALDH1A1 119/4885TSHR 4015/4885HPGD 1007/4885

“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.