SCHEMBL12594765

SCHEMBL12594765

O=C(CN(CC(=O)N/N=C/c1cc(Br)c(O)c(Br)c1O)c1ccc2ccccc2c1)NCCOCCNC(=O)CN(CC(=O)N/N=C/c1cc(Br)c(O)c(Br)c1O)c1ccc2ccccc2c1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CFTR P13569 1/20 0.56
▸ SIRT1 Q96EB6 17/20 0.56
▸ FTO Q9C0B1 1/20 0.51
▸ SIRT2 Q8IXJ6 2/20 0.47
▸ SIRT3 Q9NTG7 1/20 0.47
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ CASP6 P55212 1/20 0.41

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
SCHEMBL12594766 0.97 CFTR (0.53) CFTRSIRT1FTOSIRT2SIRT3
SCHEMBL13650085 0.88 CFTR (0.56) CFTRSIRT1FTOSIRT2SIRT3
SCHEMBL12594745 0.86 CFTR (0.61) CFTRSIRT1FTOSIRT2SIRT3
SCHEMBL12594719 0.86 CFTR (0.61) CFTRSIRT1FTOSIRT2SIRT3
SCHEMBL12887923 0.86 CFTR (0.58) CFTRSIRT1FTOSIRT2SIRT3
SCHEMBL13650098 0.85 CFTR (0.53) CFTRSIRT1FTOSIRT2SIRT3
SCHEMBL12594724 0.84 CFTR (0.61) CFTRSIRT1FTOSIRT2SIRT3
SCHEMBL12594732 0.83 CFTR (0.57) CFTRSIRT1FTOSIRT2SIRT3
SCHEMBL12594706 0.80 CFTR (0.55) CFTRSIRT1FTOSIRT2SIRT3
SCHEMBL12648741 0.80 CFTR (0.55) CFTRSIRT1FTOSIRT2SIRT3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110119775-A1 HYDRAZIDE-CONTAINING CFTR INHIBITOR COMPOUNDS AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-05-19 — — US disclosed
US-7888332-B2 Hydrazide-containing CFTR inhibitor compounds and uses thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-02-15 — — US disclosed
US-20090048207-A1 HYDRAZIDE-CONTAINING CFTR INHIBITOR COMPOUNDS AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2009-02-19 — — US disclosed
US-7414037-B2 cystic fibrosis transmembrane conductance regulator protein inhibitor; 2-naphthalenylamino-[(3,5-dibromo-2,4-dihydroxyphenyl)methylene][3-[4-(3-(PEG)n-thioureido)diphenyl)-thioureido]propanedioic acid dihydrazide (MalH-(PEG)nB); cystic fibrosis with forms of male infertility, secretory diarrhea THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2008-08-19 — — 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-20110119775-A1 HYDRAZIDE-CONTAINING CFTR INHIBITOR COMPOUNDS AND USES THEREOF CFTR, ABCC5, SLC9A5 CFTR 1/4885SIRT1 1910/4885FTO 4457/4885
US-20090048207-A1 HYDRAZIDE-CONTAINING CFTR INHIBITOR COMPOUNDS AND USES THEREOF CFTR, ABCC5, SLC9A5 CFTR 1/4885SIRT1 1910/4885FTO 4457/4885

“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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