SCHEMBL30570539

SCHEMBL30570539

COc1ccc2[nH]c3c(c2c1)CN(C(=O)c1ccc(Br)o1)CC3

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CFTR P13569 9/20 1.00
▸ BAZ2B Q9UIF8 3/20 0.67
▸ KDR P35968 3/20 0.59
▸ USP2 O75604 1/20 0.54
▸ CYP1A2 P05177 1/20 0.54
▸ CYP2D6 P10635 1/20 0.54
▸ CYP2C9 P11712 1/20 0.54
▸ ALOX15 P16050 1/20 0.54
▸ HSD17B10 Q99714 1/20 0.54
▸ KDM4E B2RXH2 1/20 0.53
▸ MAPT P10636 1/20 0.53
▸ ACHE P22303 1/20 0.53
▸ HDAC1 Q13547 1/20 0.51
▸ HDAC6 Q9UBN7 1/20 0.51

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
SCHEMBL23828290 1.00 CFTR (1.00) CFTRBAZ2BKDRUSP2CYP1A2
SCHEMBL30570546 0.87 CFTR (0.77) CFTRBAZ2BUSP2MAPTACHE
SCHEMBL23828230 0.87 CFTR (0.77) CFTRBAZ2BUSP2MAPTACHE
SCHEMBL23828229 0.82 CFTR (0.70) CFTRBAZ2BUSP2CYP1A2CYP2D6
SCHEMBL29171356 0.81 BAZ2B (0.82) CFTRBAZ2BKDRUSP2CYP1A2
SCHEMBL23828304 0.79 CFTR (0.66) CFTRBAZ2BKDRKDM4EMAPT
SCHEMBL23828254 0.78 CFTR (0.75) CFTRBAZ2BKDRUSP2CYP1A2
SCHEMBL12868564 0.77 LMNA (0.78) CFTRBAZ2BKDRUSP2CYP1A2
SCHEMBL17447456 0.77 BAZ2B (0.76) CFTRBAZ2BKDRUSP2CYP1A2
SCHEMBL23828253 0.77 CFTR (1.00) CFTRBAZ2BKDRUSP2CYP1A2

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
EP-3820867-B1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF CYSTIC FIBROSIS FONDAZIONE ST ITALIANO TECNOLOGIA (IT) 2023-09-13 — — EP claimed
US-11999734-B2 Compounds and compositions for the treatment of cystic fibrosis FONDAZIONE ISTITUTO ITALIANO DI TECNOLOGIA (IT) 2024-06-04 — — 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 (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 4498/4885KDR 4816/4885

“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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