SCHEMBL29796987

SCHEMBL29796987

CC(C)(C)OC(=O)N[C@H]1CSc2ccc(C(=O)NN)cc2NC1=O

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 1/20 0.41
▸ HDAC1 Q13547 2/20 0.41
▸ HDAC8 Q9BY41 2/20 0.41
▸ HDAC6 Q9UBN7 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ LMNA P02545 4/20 0.39
▸ ALDH1A1 P00352 3/20 0.39
▸ GAA P10253 2/20 0.39
▸ POLB P06746 3/20 0.38
▸ MAPT P10636 2/20 0.38
▸ KDM4E B2RXH2 3/20 0.37
▸ HTT P42858 2/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ SMN1; SMN2 Q16637 3/20 0.37
▸ RAB9A P51151 2/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ ATM Q13315 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
SCHEMBL26962078 1.00 HPGD (0.41) HPGDHDAC1HDAC8HDAC6KMT2A
SCHEMBL20264133 0.89 SMN1; SMN2 (0.48) HPGDHDAC1HDAC8HDAC6KMT2A
SCHEMBL31375565 0.88 LMNA (0.54) HPGDHDAC1HDAC8HDAC6KMT2A
SCHEMBL20279961 0.88 LMNA (0.54) HPGDHDAC1HDAC8HDAC6KMT2A
SCHEMBL26962726 0.87 HDAC1 (0.39) HPGDHDAC1HDAC8HDAC6KMT2A
SCHEMBL29796820 0.87 HDAC1 (0.39) HPGDHDAC1HDAC8HDAC6KMT2A
SCHEMBL31375481 0.86 LMNA (0.38) HPGDHDAC1HDAC8HDAC6KMT2A
SCHEMBL31628137 0.86 LMNA (0.38) HPGDHDAC1HDAC8HDAC6KMT2A
SCHEMBL26962754 0.84 HDAC1 (0.44) HPGDHDAC1HDAC8HDAC6KMT2A
SCHEMBL31375584 0.84 KMT2A (0.36) HPGDHDAC1HDAC8HDAC6KMT2A

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-20260035364-A1 BICYCLIC TETRAHYDROTHIAZEPINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2026-02-05 — — US disclosed
EP-4568958-A1 BICYCLIC TETRAHYDROTHIAZEPINE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2025-06-18 — — EP disclosed
EP-4568959-A1 BICYCLIC TETRAHYDROTHIAZEPINE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2025-06-18 — — EP disclosed
US-20240368150-A1 BICYCLIC TETRAHYDROAZEPINE DERIVATIVES FOR THE TREATMENT OF CANCER HOFFMANN-LA ROCHE INC. (US) 2024-11-07 — — US disclosed
WO-2024033388-A1 BICYCLIC TETRAHYDROTHIAZEPINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2024-02-15 — — WO disclosed
EP-4291558-A1 BICYCLIC TETRAHYDROAZEPINE DERIVATIVES FOR THE TREATMENT OF CANCER F. Hoffmann-La Roche AG (CH) 2023-12-20 — — EP disclosed
WO-2022171745-A1 BICYCLIC TETRAHYDROAZEPINE DERIVATIVES FOR THE TREATMENT OF CANCER F. HOFFMANN-LA ROCHE AG (CH) 2022-08-18 — — WO 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-20240368150-A1 BICYCLIC TETRAHYDROAZEPINE DERIVATIVES FOR THE TREATMENT OF CANCER BICRA, BRD4, CNR1 HPGD 1872/4885HDAC1 14/4885HDAC8 685/4885
US-20260035364-A1 BICYCLIC TETRAHYDROTHIAZEPINE DERIVATIVES SCN1B, SCN2B, SCN11A HPGD 2673/4885HDAC1 298/4885HDAC8 699/4885

“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.

Send feedback