SCHEMBL30570546

SCHEMBL30570546

Cc1ccc2[nH]c3c(c2c1)CN(C(=O)c1ccc(Br)o1)CC3

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CFTR P13569 2/20 0.77
▸ BAZ2B Q9UIF8 3/20 0.65
▸ LMNA P02545 1/20 0.61
▸ PABPC1 P11940 1/20 0.61
▸ ATM Q13315 1/20 0.61
▸ SMN1; SMN2 Q16637 1/20 0.61
▸ GAA P10253 5/20 0.57
▸ NPC1 O15118 1/20 0.57
▸ HDAC1 Q13547 1/20 0.56
▸ HDAC6 Q9UBN7 1/20 0.56
▸ ALDH1A1 P00352 5/20 0.55
▸ MEN1 O00255 2/20 0.55
▸ KMT2A Q03164 2/20 0.55
▸ USP2 O75604 2/20 0.55
▸ MAPT P10636 2/20 0.55
▸ CASP1 P29466 2/20 0.55
▸ CASP7 P55210 2/20 0.55
▸ HTT P42858 1/20 0.53
▸ TDP1 Q9NUW8 1/20 0.53
▸ L3MBTL1 Q9Y468 1/20 0.52

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
SCHEMBL23828230 1.00 CFTR (0.77) CFTRBAZ2BLMNAPABPC1ATM
SCHEMBL23828290 0.87 CFTR (1.00) CFTRBAZ2BHDAC1HDAC6USP2
SCHEMBL30570539 0.87 CFTR (1.00) CFTRBAZ2BHDAC1HDAC6USP2
SCHEMBL23828296 0.85 CFTR (0.64) CFTRBAZ2BLMNAPABPC1ATM
SCHEMBL23828229 0.85 CFTR (0.70) CFTRBAZ2BLMNAATMSMN1; SMN2
SCHEMBL30570544 0.84 BAZ2B (0.64) CFTRBAZ2BLMNAPABPC1ATM
SCHEMBL23828288 0.84 BAZ2B (0.64) CFTRBAZ2BLMNAPABPC1ATM
SCHEMBL23828282 0.82 GAA (0.79) CFTRBAZ2BLMNAPABPC1ATM
SCHEMBL12868355 0.80 BAZ2B (1.00) CFTRBAZ2BLMNAPABPC1ATM
SCHEMBL3424575 0.80 BAZ2B (0.81) CFTRBAZ2BLMNAPABPC1ATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11999734-B2 Compounds and compositions for the treatment of cystic fibrosis FONDAZIONE ISTITUTO ITALIANO DI TECNOLOGIA (IT) 2024-06-04 — — US disclosed
EP-3820867-B1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF CYSTIC FIBROSIS FONDAZIONE ST ITALIANO TECNOLOGIA (IT) 2023-09-13 — — EP 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-11999734-B2 Compounds and compositions for the treatment of cystic fibrosis CFTR, ABCB11, ABCC5 CFTR 1/4885BAZ2B 4498/4885LMNA 2957/4885

“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