SCHEMBL13650093

SCHEMBL13650093

Cc1ccc(N(CCCCOCCCCN(CC(=O)N/N=C/c2cc(Br)c(O)c(Br)c2O)c2ccc(C)cc2)CC(=O)N/N=C/c2cc(Br)c(O)c(Br)c2O)cc1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ SIRT1 Q96EB6 12/20 0.55
▸ CFTR P13569 1/20 0.43
▸ FTO Q9C0B1 1/20 0.42
▸ MEN1 O00255 3/20 0.42
▸ KMT2A Q03164 3/20 0.42
▸ NPC1 O15118 2/20 0.42
▸ POLB P06746 2/20 0.42
▸ RAB9A P51151 2/20 0.42
▸ PIK3CG P48736 1/20 0.42
▸ CASP6 P55212 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ ERCC1 P07992 1/20 0.41
▸ ERCC4 Q92889 1/20 0.41
▸ OXTR P30559 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
SCHEMBL13650094 0.96 SIRT1 (0.52) SIRT1CFTRFTOMEN1KMT2A
SCHEMBL13650104 0.88 SIRT1 (0.45) SIRT1MEN1KMT2ANPC1POLB
SCHEMBL13650085 0.87 CFTR (0.56) SIRT1CFTRFTOMEN1KMT2A
SCHEMBL13650098 0.87 CFTR (0.53) SIRT1CFTRFTOMEN1KMT2A
SCHEMBL13650092 0.86 SIRT1 (0.48) SIRT1CFTRFTOMEN1KMT2A
SCHEMBL13650095 0.85 MEN1 (0.43) SIRT1MEN1KMT2ANPC1POLB
SCHEMBL13650083 0.81 CFTR (0.49) SIRT1CFTRFTOMEN1KMT2A
SCHEMBL13650082 0.80 SIRT1 (0.50) SIRT1CFTRFTOMEN1KMT2A
SCHEMBL13650103 0.80 NCOA1 (0.52) MEN1KMT2ANPC1POLBRAB9A
SCHEMBL13650106 0.78 SIRT1 (0.49) SIRT1CFTRFTOMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090253799-A1 DIVALENT HYDRAZIDE COMPOUND CONJUGATES FOR INHIBITING CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2009-10-08 — — 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-20090253799-A1 DIVALENT HYDRAZIDE COMPOUND CONJUGATES FOR INHIBITING CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SLC26A4, SLC26A3 SIRT1 3338/4885CFTR 1/4885FTO 4877/4885

“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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