SCHEMBL13650100

SCHEMBL13650100

O=C(CN(CCCCOCCCCN(CC(=O)N/N=C/c1ccc(Br)cc1)c1ccc2ccccc2c1)c1ccc2ccccc2c1)N/N=C/c1ccc(Br)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 7/20 0.44
▸ ATM Q13315 2/20 0.43
▸ LMNA P02545 2/20 0.43
▸ XBP1 P17861 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ HDAC3 O15379 1/20 0.43
▸ HDAC1 Q13547 1/20 0.43
▸ HDAC2 Q92769 1/20 0.43
▸ HDAC8 Q9BY41 1/20 0.43
▸ HDAC6 Q9UBN7 1/20 0.43
▸ MEN1 O00255 5/20 0.41
▸ MAPT P10636 5/20 0.41
▸ KDM4E B2RXH2 3/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ PPARG P37231 1/20 0.41
▸ ESRRG P62508 1/20 0.41
▸ POLB P06746 2/20 0.40
▸ PAX8 Q06710 1/20 0.40
▸ HTT P42858 2/20 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
SCHEMBL13650102 0.90 MAPT (0.54) KMT2AATMLMNAHDAC3HDAC1
SCHEMBL13650086 0.89 MEN1 (0.45) KMT2ALMNAHDAC3HDAC1HDAC2
SCHEMBL13650099 0.86 MEN1 (0.44) KMT2ALMNAHDAC3HDAC1HDAC2
SCHEMBL13650085 0.84 CFTR (0.56) KMT2AMEN1POLB
SCHEMBL13650101 0.81 HIF1A (0.49) KMT2ALMNASMN1; SMN2MEN1MAPT
SCHEMBL13650098 0.81 CFTR (0.53) KMT2AMEN1POLB
SCHEMBL13650082 0.80 SIRT1 (0.50) KMT2ALMNASMN1; SMN2MEN1MAPT
SCHEMBL13650096 0.76 PPARG (0.38) KMT2ASMN1; SMN2MEN1MAPTKDM4E
SCHEMBL13650091 0.73 BLM (0.47) KMT2ALMNAMEN1MAPTKDM4E
SCHEMBL12872566 0.71 CFTR (0.52) KMT2AMEN1PPARGPOLB

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 KMT2A 3845/4885ATM 4079/4885LMNA 4783/4885

“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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