SCHEMBL13650094

SCHEMBL13650094

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

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ SIRT1 Q96EB6 10/20 0.52
▸ POLB P06746 3/20 0.41
▸ MEN1 O00255 3/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ NPC1 O15118 2/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ CFTR P13569 1/20 0.41
▸ FTO Q9C0B1 1/20 0.39
▸ MAPT P10636 2/20 0.39
▸ MAPK1 P28482 2/20 0.39
▸ PIK3CG P48736 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ CASP6 P55212 1/20 0.39
▸ LMNA P02545 2/20 0.39
▸ ALDH1A1 P00352 1/20 0.39

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
SCHEMBL13650093 0.96 SIRT1 (0.55) SIRT1POLBMEN1KMT2ANPC1
SCHEMBL13650104 0.93 SIRT1 (0.45) SIRT1POLBMEN1KMT2ANPC1
SCHEMBL13650095 0.90 MEN1 (0.43) SIRT1POLBMEN1KMT2ANPC1
SCHEMBL13650103 0.85 NCOA1 (0.52) POLBMEN1KMT2ANPC1TDP1
SCHEMBL13650085 0.83 CFTR (0.56) SIRT1POLBMEN1KMT2ANPC1
SCHEMBL13650098 0.83 CFTR (0.53) SIRT1POLBMEN1KMT2ANPC1
SCHEMBL13650092 0.82 SIRT1 (0.48) SIRT1POLBMEN1KMT2ANPC1
SCHEMBL13650083 0.78 CFTR (0.49) SIRT1POLBMEN1KMT2ANPC1
SCHEMBL13650082 0.77 SIRT1 (0.50) SIRT1POLBMEN1KMT2ACFTR
SCHEMBL13650106 0.74 SIRT1 (0.49) SIRT1POLBMEN1KMT2ANPC1

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 3338/4885POLB 3817/4885MEN1 4189/4885

“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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