SCHEMBL13650096

SCHEMBL13650096

C/C(=N\NC(=O)CN(CCCCOCCCCN(CC(=O)N/N=C(\C)c1cc(Br)c(O)c(Br)c1)c1ccc2ccccc2c1)c1ccc2ccccc2c1)c1cc(Br)c(O)c(Br)c1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 1/20 0.38
▸ ALDH1A1 P00352 6/20 0.38
▸ MAPT P10636 6/20 0.38
▸ KDM4E B2RXH2 3/20 0.38
▸ HTT P42858 1/20 0.38
▸ MEN1 O00255 7/20 0.38
▸ KMT2A Q03164 7/20 0.38
▸ GAA P10253 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ MTOR P42345 1/20 0.36
▸ HPGD P15428 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ SIRT1 Q96EB6 1/20 0.35

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
SCHEMBL13650086 0.84 MEN1 (0.45) PPARGALDH1A1MAPTKDM4EHTT
SCHEMBL13650099 0.81 MEN1 (0.44) ALDH1A1MAPTKDM4EHTTMEN1
SCHEMBL13650085 0.80 CFTR (0.56) MEN1KMT2ASIRT1
SCHEMBL13650098 0.78 CFTR (0.53) MEN1KMT2ASIRT1
SCHEMBL13650082 0.77 SIRT1 (0.50) PPARGALDH1A1MAPTKDM4EHTT
SCHEMBL13650100 0.76 KMT2A (0.44) PPARGALDH1A1MAPTKDM4EHTT
SCHEMBL13650102 0.73 MAPT (0.54) PPARGALDH1A1MAPTKDM4EMEN1
SCHEMBL13650101 0.73 HIF1A (0.49) ALDH1A1MAPTKDM4EHTTMEN1
SCHEMBL12648739 0.72 CFTR (0.60) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL13650087 0.72 SIRT1 (0.37) ALDH1A1MAPTKDM4EHTTMEN1

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 PPARG 2874/4885ALDH1A1 3503/4885MAPT 4837/4885

“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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