SCHEMBL25218263

SCHEMBL25218263

CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1ccc(-c2cccs2)cc1[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 2/20 0.47
ABCC1 P33527 1/20 0.46
ERN1 O75460 1/20 0.45
GABRA1 P14867 1/20 0.40
GABRG2 P18507 1/20 0.40
GABRB3 P28472 1/20 0.40
GABRA5 P31644 1/20 0.40
GABRA3 P34903 1/20 0.40
GABRA2 P47869 1/20 0.40
GABRA6 Q16445 1/20 0.40
GPR119 Q8TDV5 1/20 0.39
HDAC1 Q13547 7/20 0.38
HDAC2 Q92769 7/20 0.38
HDAC3 O15379 5/20 0.38
EIF4E P06730 1/20 0.36
PTGES O14684 1/20 0.36
GBA1 P04062 1/20 0.36
NR4A2 P43354 1/20 0.35

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
SCHEMBL25213770 0.83 THRB (0.35) ABCB1HDAC1HDAC2HDAC3
SCHEMBL12933617 0.83 ABCB1 (0.37) ABCB1ABCC1ERN1GABRA1GABRG2
SCHEMBL25258310 0.82 HCAR3 (0.34) HDAC1HDAC2HDAC3
SCHEMBL25267778 0.81 POLB (0.39)
SCHEMBL25223206 0.81 HCAR3 (0.34) HDAC1HDAC2HDAC3
SCHEMBL25270120 0.81 HCAR3 (0.34)
SCHEMBL25267590 0.81 PARP14 (0.39)
SCHEMBL25270112 0.79 SRD5A2 (0.36) ABCB1ABCC1EIF4E
SCHEMBL25213259 0.78 ERN1 (0.40) ABCB1ABCC1ERN1GPR119
SCHEMBL22114690 0.78 TSHR (0.46)

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 7 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
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
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 ABCB1 2557/4885ABCC1 2033/4885ERN1 1768/4885
US-20250136570-A1 HDAC INHIBITORS AND THERAPEUTIC USE THEREOF HDAC1, HDAC7, HDAC5 ABCB1 2185/4885ABCC1 1983/4885ERN1 1971/4885
US-12043607-B2 HDAC inhibitors and therapeutic use thereof HDAC1, HDAC7, HDAC5 ABCB1 2185/4885ABCC1 1983/4885ERN1 1971/4885

“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.