SCHEMBL13650105

SCHEMBL13650105

O=C(CN(CCCCOCCCCN(CC(=O)N/N=C/c1cc(Br)c(O)c(Br)c1)c1cccc2ncccc12)c1cccc2ccccc12)N/N=C/c1cc(Br)c(O)c(Br)c1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ BLM P54132 1/20 0.41
▸ MEN1 O00255 4/20 0.40
▸ KMT2A Q03164 4/20 0.40
▸ SIRT1 Q96EB6 1/20 0.38
▸ MAPT P10636 6/20 0.38
▸ KDM4E B2RXH2 4/20 0.38
▸ LMNA P02545 1/20 0.38
▸ POLB P06746 2/20 0.37
▸ HIF1A Q16665 2/20 0.37
▸ ALDH1A1 P00352 2/20 0.36
▸ ALPI P09923 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL13650091 0.92 BLM (0.47) BLMMEN1KMT2AMAPTKDM4E
SCHEMBL13650106 0.87 SIRT1 (0.49) MEN1KMT2ASIRT1MAPTKDM4E
SCHEMBL13650083 0.82 CFTR (0.49) MEN1KMT2ASIRT1POLBHIF1A
SCHEMBL13650086 0.78 MEN1 (0.45) BLMMEN1KMT2ASIRT1MAPT
SCHEMBL13650099 0.77 MEN1 (0.44) BLMMEN1KMT2ASIRT1MAPT
SCHEMBL14082172 0.73 MAPT (0.53) MEN1KMT2AMAPTKDM4ELMNA
SCHEMBL13650092 0.71 SIRT1 (0.48) MEN1KMT2ASIRT1MAPTKDM4E
SCHEMBL13650095 0.70 MEN1 (0.43) MEN1KMT2ASIRT1MAPTKDM4E
SCHEMBL1669669 0.69 MAPT (0.68) BLMMEN1KMT2AMAPTKDM4E
SCHEMBL1669671 0.69 MAPT (0.68) BLMMEN1KMT2AMAPTKDM4E

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 BLM 1540/4885MEN1 4189/4885KMT2A 3845/4885

“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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