SCHEMBL29828809

SCHEMBL29828809

Cc1cc2c(Br)c(OC[C@@H](Cc3ccccc3)NC(=O)OC(C)(C)C)ccc2cn1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ATM Q13315 1/20 0.47
▸ AAK1 Q2M2I8 6/20 0.46
▸ HDAC3 O15379 4/20 0.43
▸ HDAC4 P56524 4/20 0.43
▸ HDAC1 Q13547 4/20 0.43
▸ HDAC7 Q8WUI4 4/20 0.43
▸ HDAC2 Q92769 4/20 0.43
▸ HDAC10 Q969S8 4/20 0.43
▸ HDAC11 Q96DB2 4/20 0.43
▸ HDAC8 Q9BY41 4/20 0.43
▸ HDAC6 Q9UBN7 4/20 0.43
▸ HDAC9 Q9UKV0 4/20 0.43
▸ HDAC5 Q9UQL6 4/20 0.43
▸ CYP3A4 P08684 5/20 0.42
▸ APP P05067 2/20 0.41
▸ ACE P12821 1/20 0.40
▸ KLK5 Q9Y337 1/20 0.40

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
SCHEMBL29096959 1.00 ATM (0.47) ATMAAK1HDAC3HDAC4HDAC1
SCHEMBL30639523 1.00 ATM (0.47) ATMAAK1HDAC3HDAC4HDAC1
SCHEMBL27133393 0.90 MAPK1 (0.39) —
SCHEMBL27032865 0.90 MAPK1 (0.39) —
SCHEMBL27135967 0.89 ATM (0.47) ATMAAK1HDAC3HDAC4HDAC1
SCHEMBL27032864 0.89 ATM (0.47) ATMAAK1HDAC3HDAC4HDAC1
SCHEMBL29097261 0.86 CYP3A4 (0.48) ATMAAK1HDAC3HDAC4HDAC1
SCHEMBL29828762 0.86 CYP3A4 (0.48) ATMAAK1HDAC3HDAC4HDAC1
SCHEMBL30639635 0.86 CYP3A4 (0.48) ATMAAK1HDAC3HDAC4HDAC1
SCHEMBL29828533 0.85 ATM (0.43) ATMAAK1HDAC3HDAC4HDAC1

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-20260098060-A1 MACROCYCLIC CFTR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2026-04-09 — — US disclosed
EP-4587012-A1 COMBINATION OF MACROCYCLIC CFTR MODULATORS WITH CFTR CORRECTORS AND / OR CFTR POTENTIATORS Idorsia Pharmaceuticals Ltd (CH) 2025-07-23 — — EP disclosed
EP-4587443-A1 MACROCYCLIC CFTR MODULATORS Idorsia Pharmaceuticals Ltd (CH) 2025-07-23 — — EP disclosed
US-20240208992-A1 MACROCYCLES AS CFTR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2024-06-27 — — US disclosed
WO-2024056798-A1 MACROCYCLIC CFTR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2024-03-21 — — WO disclosed
WO-2024056791-A1 COMBINATION OF MACROCYCLIC CFTR MODULATORS WITH CFTR CORRECTORS AND / OR CFTR POTENTIATORS IDORSIA PHARMACEUTICALS LTD (CH) 2024-03-21 — — WO disclosed
EP-4308575-A1 MACROCYCLES AS CFTR MODULATORS Idorsia Pharmaceuticals Ltd (CH) 2024-01-24 — — EP disclosed
WO-2022194399-A1 MACROCYCLES AS CFTR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2022-09-22 — — 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-20260098060-A1 MACROCYCLIC CFTR MODULATORS CFTR, CLIC1, ARRB1 ATM 2233/4885AAK1 2966/4885HDAC3 1311/4885
US-20240208992-A1 MACROCYCLES AS CFTR MODULATORS CFTR, PKD1, ARRB1 ATM 1037/4885AAK1 2340/4885HDAC3 1127/4885

“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