SCHEMBL25270239

SCHEMBL25270239

[2H]c1c([2H])c(-c2ccc(NC(=O)OC(C)(C)C)c(N)c2)c([2H])c([2H])c1F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 7/20 0.48
CYP17A1 P05093 1/20 0.47
ABCB1 P08183 2/20 0.42
ABCC1 P33527 1/20 0.42
HDAC2 Q92769 4/20 0.41
HDAC1 Q13547 4/20 0.41
MAP4K4 O95819 1/20 0.40
KCNQ4 P56696 2/20 0.39
KCNQ5 Q9NR82 2/20 0.39
KCNQ3 O43525 1/20 0.38
KCNQ2 O43526 1/20 0.38
PIK3CD O00329 1/20 0.36
ABL1 P00519 1/20 0.36
EGFR P00533 1/20 0.36
KDR P35968 1/20 0.36
PIK3CA P42336 1/20 0.36
PIK3CG P48736 1/20 0.36
BACE1 P56817 1/20 0.36
PRKDC P78527 1/20 0.36
PI4KB Q9UBF8 1/20 0.36

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
SCHEMBL197036 0.87 CYP17A1 (0.54) AAK1CYP17A1ABCB1ABCC1HDAC2
SCHEMBL30059279 0.87 CYP17A1 (0.54) AAK1CYP17A1ABCB1ABCC1HDAC2
SCHEMBL20163070 0.86 ABCB1 (0.56) AAK1CYP17A1ABCB1ABCC1HDAC2
SCHEMBL25216132 0.85 CYP17A1 (0.54) AAK1CYP17A1ABCB1ABCC1HDAC2
SCHEMBL5868895 0.84 AAK1 (0.48) AAK1CYP17A1ABCB1ABCC1HDAC2
SCHEMBL30118376 0.84 AAK1 (0.48) AAK1CYP17A1ABCB1ABCC1HDAC2
SCHEMBL3786645 0.82 AAK1 (0.53) AAK1CYP17A1ABCB1ABCC1HDAC2
SCHEMBL29581478 0.82 HDAC1 (0.55) AAK1CYP17A1HDAC2HDAC1KCNQ4
SCHEMBL197145 0.82 HDAC1 (0.55) AAK1CYP17A1HDAC2HDAC1KCNQ4
SCHEMBL25250965 0.81 ABCB1 (0.46) CYP17A1ABCB1ABCC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250136570-A1 HDAC INHIBITORS AND THERAPEUTIC USE THEREOF TANGO THERAPEUTICS, INC. 2025-05-01 US disclosed
EP-4441033-A1 NOVEL HDAC INHIBITORS AND THERAPEUTIC USE THEREOF Tango Therapeutics, Inc. (US) 2024-10-09 EP disclosed
US-12043607-B2 HDAC inhibitors and therapeutic use thereof TANGO THERAPEUTICS, INC. (US) 2024-07-23 US disclosed
WO-2023102162-A1 TGONOVEL HDAC INHIBITORS AND THERAPEUTIC USE THEREOF TANGO THERAPEUTICS, INC. (US) 2023-06-08 WO disclosed
US-20230174501-A1 NOVEL HDAC INHIBITORS AND THERAPEUTIC USE THEREOF TANGO THERAPEUTICS, INC. 2023-06-08 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-20230174501-A1 NOVEL HDAC INHIBITORS AND THERAPEUTIC USE THEREOF HDAC1, HDAC7, HDAC5 AAK1 2510/4885CYP17A1 1294/4885ABCB1 2557/4885
US-20250136570-A1 HDAC INHIBITORS AND THERAPEUTIC USE THEREOF HDAC1, HDAC7, HDAC5 AAK1 3018/4885CYP17A1 657/4885ABCB1 2185/4885
US-12043607-B2 HDAC inhibitors and therapeutic use thereof HDAC1, HDAC7, HDAC5 AAK1 3018/4885CYP17A1 657/4885ABCB1 2185/4885

“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.