SCHEMBL5778666

SCHEMBL5778666

O=C(O)NCCc1ccc(C=NNc2ccc(-c3cccnc3)cc2)cc1I

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
GAA P10253 9/20 0.41
HSP90AA1 P07900 2/20 0.41
NPC1 O15118 9/20 0.41
RAB9A P51151 9/20 0.41
MAPT P10636 7/20 0.41
SMN1; SMN2 Q16637 6/20 0.41
ALDH1A1 P00352 4/20 0.40
LMNA P02545 3/20 0.40
MEN1 O00255 5/20 0.40
KMT2A Q03164 5/20 0.40
POLB P06746 3/20 0.40
KDM4E B2RXH2 2/20 0.40
NFKB1 P19838 2/20 0.40
NFKB2 Q00653 2/20 0.40
RELA Q04206 2/20 0.40
P2RX7 Q99572 1/20 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
SCHEMBL5778662 0.83 HDAC3 (0.41) HDAC3HDAC1HDAC2HDAC6GAA
SCHEMBL5778977 0.81 MAPT (0.45) HDAC3HDAC1HDAC2HDAC6GAA
SCHEMBL5778974 0.81 MAPT (0.45) HDAC3HDAC1HDAC2HDAC6GAA
SCHEMBL5773744 0.74 GAA (0.53) HDAC3HDAC1HDAC2HDAC6GAA
SCHEMBL5773740 0.74 GAA (0.53) HDAC3HDAC1HDAC2HDAC6GAA
SCHEMBL5780650 0.72 MAPT (0.49) HDAC3HDAC1HDAC2HDAC6GAA
SCHEMBL23828919 0.70 KMT2A (0.56) GAANPC1RAB9AMAPTSMN1; SMN2
SCHEMBL5775664 0.70 RAB9A (0.57) HDAC3HDAC1HDAC2HDAC6GAA
SCHEMBL5778185 0.69 MMP1 (0.34) RAB9AALDH1A1KDM4EHPGD
SCHEMBL20773417 0.67 KCNH2 (0.53) HDAC3HDAC1HDAC2HDAC6NPC1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060276433-A1 Hydrazone derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-12-07 US disclosed
EP-1612204-A1 HYDRAZONE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-01-04 EP 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-20060276433-A1 Hydrazone derivative APP, PRNP, HTT HDAC3 280/4885HDAC1 64/4885HDAC2 255/4885

“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.