SCHEMBL13650101

SCHEMBL13650101

O=C(CN(CCCCOCCCCN(CC(=O)N/N=C/c1ccc(O)cc1O)c1ccc2ccccc2c1)c1ccc2ccccc2c1)N/N=C/c1ccc(O)cc1O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HIF1A Q16665 2/20 0.49
▸ KDM4E B2RXH2 9/20 0.47
▸ MAPT P10636 6/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47
▸ ALDH1A1 P00352 3/20 0.45
▸ HTT P42858 3/20 0.45
▸ MEN1 O00255 3/20 0.45
▸ KMT2A Q03164 3/20 0.45
▸ GAA P10253 2/20 0.45
▸ NTRK1 P04629 1/20 0.45
▸ HPGD P15428 3/20 0.45
▸ LMNA P02545 3/20 0.44
▸ SMN1; SMN2 Q16637 3/20 0.44
▸ NPC1 O15118 2/20 0.44
▸ POLB P06746 2/20 0.44
▸ RAB9A P51151 2/20 0.43
▸ MITF O75030 1/20 0.43
▸ NTSR1 P30989 1/20 0.43
▸ ALPL P05186 1/20 0.43
▸ ALPI P09923 1/20 0.43

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
SCHEMBL13650085 0.84 CFTR (0.56) MEN1KMT2ANPC1POLBRAB9A
SCHEMBL13650103 0.82 NCOA1 (0.52) HIF1AKDM4EMAPTTDP1ALDH1A1
SCHEMBL13650086 0.82 MEN1 (0.45) HIF1AKDM4EMAPTALDH1A1HTT
SCHEMBL13650100 0.81 KMT2A (0.44) KDM4EMAPTALDH1A1HTTMEN1
SCHEMBL13650098 0.81 CFTR (0.53) MEN1KMT2ANPC1POLBRAB9A
SCHEMBL13650102 0.81 MAPT (0.54) KDM4EMAPTTDP1ALDH1A1MEN1
SCHEMBL13650082 0.81 SIRT1 (0.50) HIF1AKDM4EMAPTALDH1A1HTT
SCHEMBL13650099 0.79 MEN1 (0.44) HIF1AKDM4EMAPTALDH1A1HTT
SCHEMBL13650096 0.73 PPARG (0.38) KDM4EMAPTALDH1A1HTTMEN1
SCHEMBL12648741 0.73 CFTR (0.55) HIF1AKDM4EMAPTTDP1ALDH1A1

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 HIF1A 2884/4885KDM4E 4307/4885MAPT 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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