SCHEMBL26170484

SCHEMBL26170484

CC(C)(C)OC(=O)Nc1ccc(-c2ccc(F)cc2)cc1NC(=O)c1ccc(C2(C)CC2)cc1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 2/20 0.48
HDAC1 Q13547 8/20 0.44
HDAC2 Q92769 5/20 0.44
HDAC3 O15379 2/20 0.42
KCNQ4 P56696 3/20 0.42
KCNQ5 Q9NR82 3/20 0.42
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
KCNMA1 Q12791 1/20 0.39
KCNH2 Q12809 1/20 0.39
PTPN1 P18031 1/20 0.39
NPC1 O15118 1/20 0.38
GAA P10253 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
RORC P51449 1/20 0.37

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
SCHEMBL26170486 0.85 CYP17A1 (0.42) CYP17A1HDAC1HDAC2HDAC3KCNQ4
SCHEMBL1705492 0.84 HDAC1 (0.51) CYP17A1HDAC1HDAC2HDAC3KCNQ4
SCHEMBL25221573 0.84 RORC (0.41) CYP17A1HDAC1HDAC2HDAC3KCNQ4
SCHEMBL1708159 0.83 HDAC1 (0.46) CYP17A1HDAC1HDAC2HDAC3KCNQ4
SCHEMBL3760018 0.82 HDAC1 (0.43) CYP17A1HDAC1HDAC2HDAC3KCNQ4
SCHEMBL3766485 0.82 HDAC2 (0.51) CYP17A1HDAC1HDAC2HDAC3KCNQ4
SCHEMBL25214971 0.81 CYP17A1 (0.46) CYP17A1HDAC1HDAC2KCNQ4KCNQ5
SCHEMBL25256259 0.80 CYP17A1 (0.43) CYP17A1HDAC1HDAC2KCNQ4KCNQ5
SCHEMBL25211166 0.80 CYP17A1 (0.43) CYP17A1HDAC1HDAC2KCNQ4KCNQ5
SCHEMBL25255025 0.80 CYP17A1 (0.43) CYP17A1HDAC1HDAC2KCNQ4KCNQ5

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-12043607-B2 HDAC inhibitors and therapeutic use thereof TANGO THERAPEUTICS, INC. (US) 2024-07-23 US 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 (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-20230174501-A1 NOVEL HDAC INHIBITORS AND THERAPEUTIC USE THEREOF HDAC1, HDAC7, HDAC5 CYP17A1 1294/4885HDAC1 1/4885HDAC2 9/4885
US-12043607-B2 HDAC inhibitors and therapeutic use thereof HDAC1, HDAC7, HDAC5 CYP17A1 657/4885HDAC1 1/4885HDAC2 8/4885

“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.