SCHEMBL25211751

SCHEMBL25211751

Cc1csc(-c2ccc(NC(=O)OC(C)(C)C)c([N+](=O)[O-])c2)c1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 4/20 0.44
ABCC1 P33527 2/20 0.43
ALDH1A1 P00352 5/20 0.42
NPC1 O15118 4/20 0.41
RAB9A P51151 4/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
HTT P42858 1/20 0.41
KCNMA1 Q12791 1/20 0.41
MAPT P10636 1/20 0.40
HDAC3 O15379 3/20 0.40
HDAC1 Q13547 3/20 0.40
HDAC2 Q92769 3/20 0.40
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39

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
SCHEMBL5869038 0.85 ALDH1A1 (0.49) ABCB1ABCC1ALDH1A1NPC1RAB9A
SCHEMBL8231247 0.83 ALDH1A1 (0.58) ALDH1A1NPC1RAB9ASMN1; SMN2HTT
SCHEMBL31365089 0.83 ALDH1A1 (0.58) ALDH1A1NPC1RAB9ASMN1; SMN2HTT
SCHEMBL30091875 0.83 ABCB1 (0.62) ABCB1ABCC1ALDH1A1NPC1RAB9A
SCHEMBL978401 0.83 ABCB1 (0.62) ABCB1ABCC1ALDH1A1NPC1RAB9A
SCHEMBL25250939 0.83 ABCB1 (0.42) ABCB1ABCC1ALDH1A1NPC1RAB9A
SCHEMBL5868987 0.83 ABCB1 (0.49) ABCB1ABCC1ALDH1A1NPC1RAB9A
SCHEMBL25267654 0.82 ABCB1 (0.46) ABCB1ABCC1ALDH1A1NPC1RAB9A
SCHEMBL25214714 0.81 HDAC1 (0.50) HDAC3HDAC1HDAC2
SCHEMBL979204 0.81 ABCB1 (0.46) ABCB1ABCC1KCNMA1MEN1KMT2A

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 8 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
CN-118715206-A Novel HDAC inhibitors and therapeutic uses thereof 探戈医药股份有限公司 2024-09-27 CN 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 2033/4885ALDH1A1 495/4885
US-20250136570-A1 HDAC INHIBITORS AND THERAPEUTIC USE THEREOF HDAC1, HDAC7, HDAC5 ABCB1 2185/4885ABCC1 1983/4885ALDH1A1 477/4885
US-12043607-B2 HDAC inhibitors and therapeutic use thereof HDAC1, HDAC7, HDAC5 ABCB1 2185/4885ABCC1 1983/4885ALDH1A1 477/4885

“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.