SCHEMBL23828229

SCHEMBL23828229

O=C(c1ccc(Br)o1)N1CCc2[nH]c3ccccc3c2C1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CFTR P13569 4/20 0.70
▸ MAPT P10636 5/20 0.61
▸ LMNA P02545 1/20 0.61
▸ BAZ2B Q9UIF8 1/20 0.61
▸ ALDH1A1 P00352 5/20 0.55
▸ KMT2A Q03164 4/20 0.55
▸ MEN1 O00255 3/20 0.55
▸ TAAR1 Q96RJ0 1/20 0.54
▸ HDAC1 Q13547 2/20 0.53
▸ HDAC6 Q9UBN7 2/20 0.53
▸ KDM4E B2RXH2 3/20 0.52
▸ CASP1 P29466 3/20 0.52
▸ MAPK1 P28482 1/20 0.52
▸ ATM Q13315 1/20 0.52
▸ HSD17B10 Q99714 1/20 0.52
▸ CYP1A2 P05177 1/20 0.52
▸ CYP3A4 P08684 1/20 0.52
▸ CYP2D6 P10635 1/20 0.52
▸ CYP2C9 P11712 1/20 0.52
▸ CYP2C19 P33261 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 0.85 CFTR (0.77) CFTRMAPTLMNABAZ2BALDH1A1
SCHEMBL30570546 0.85 CFTR (0.77) CFTRMAPTLMNABAZ2BALDH1A1
SCHEMBL23828290 0.82 CFTR (1.00) CFTRMAPTBAZ2BHDAC1HDAC6
SCHEMBL30570539 0.82 CFTR (1.00) CFTRMAPTBAZ2BHDAC1HDAC6
SCHEMBL3079170 0.79 MAPT (0.71) CFTRMAPTLMNABAZ2BALDH1A1
SCHEMBL28468258 0.78 MAPT (0.77) CFTRMAPTLMNABAZ2BALDH1A1
SCHEMBL14015615 0.76 MAPT (0.75) CFTRMAPTLMNABAZ2BALDH1A1
SCHEMBL28387618 0.76 BAZ2B (1.00) MAPTLMNABAZ2BALDH1A1KMT2A
SCHEMBL16462808 0.76 MAPT (0.75) CFTRMAPTLMNABAZ2BALDH1A1
SCHEMBL12868422 0.75 CDK4 (0.77) CFTRMAPTLMNABAZ2BKMT2A

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 6 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-20210292324-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF CYSTIC FIBROSIS ISTITUTO GIANNINA GASLINI (IT) 2021-09-23 — — US claimed
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
US-20210292324-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF CYSTIC FIBROSIS ISTITUTO GIANNINA GASLINI (IT) 2021-09-23 — — US disclosed
US-20210292324-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF CYSTIC FIBROSIS ISTITUTO GIANNINA GASLINI (IT) 2021-09-23 — — 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 (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-11999734-B2 Compounds and compositions for the treatment of cystic fibrosis CFTR, ABCB11, ABCC5 CFTR 1/4885MAPT 4258/4885LMNA 2957/4885
US-20210292324-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF CYSTIC FIBROSIS CFTR, ABCB11, ABCC5 CFTR 1/4885MAPT 4258/4885LMNA 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.

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