SCHEMBL26961694

SCHEMBL26961694

CC(C)(C)OC(=O)N[C@H]1CSc2ccc(C(=O)NNC(=O)C3(C)CCN(C(=O)OCc4ccccc4)CC3)cc2N(Cc2ccc(Cl)cc2)C1=O

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.41
▸ SMN1; SMN2 Q16637 4/20 0.41
▸ LMNA P02545 1/20 0.41
▸ ALDH1A1 P00352 2/20 0.40
▸ HPGD P15428 2/20 0.40
▸ NPSR1 Q6W5P4 2/20 0.40
▸ HTT P42858 1/20 0.40
▸ TP53 P04637 2/20 0.40
▸ SRC P12931 1/20 0.40
▸ THRB P10828 1/20 0.38
▸ XIAP P98170 1/20 0.38
▸ NPY1R P25929 1/20 0.38
▸ MEN1 O00255 3/20 0.37
▸ KMT2A Q03164 3/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ HDAC1 Q13547 1/20 0.37
▸ HDAC8 Q9BY41 1/20 0.37
▸ HDAC6 Q9UBN7 1/20 0.37
▸ NPC1 O15118 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
SCHEMBL26961629 0.85 TP53 (0.39) MAPTSMN1; SMN2LMNAALDH1A1HPGD
SCHEMBL26962039 0.82 XIAP (0.36) ALDH1A1SRCXIAPNPY1R
SCHEMBL26961716 0.81 NPC1 (0.46) MAPTSMN1; SMN2LMNATP53SRC
SCHEMBL29796955 0.81 NPC1 (0.45) MAPTSMN1; SMN2LMNATP53XIAP
SCHEMBL20264153 0.81 NPC1 (0.45) MAPTSMN1; SMN2LMNATP53XIAP
SCHEMBL20264274 0.80 NPC1 (0.42) MAPTSMN1; SMN2LMNAALDH1A1HPGD
SCHEMBL26961714 0.80 NPC1 (0.37) MAPTSMN1; SMN2LMNATP53SRC
SCHEMBL26961919 0.80 SRC (0.43) MAPTSMN1; SMN2ALDH1A1HPGDNPSR1
SCHEMBL26961918 0.79 SMN1; SMN2 (0.40) MAPTSMN1; SMN2LMNATP53SRC
SCHEMBL20264358 0.79 NPC1 (0.45) MAPTSMN1; SMN2LMNATP53SRC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240368150-A1 BICYCLIC TETRAHYDROAZEPINE DERIVATIVES FOR THE TREATMENT OF CANCER HOFFMANN-LA ROCHE INC. (US) 2024-11-07 — — US 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 (1 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 MAPT 2781/4885SMN1; SMN2 3375/4885LMNA 1142/4885

“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.

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