SCHEMBL7769353

SCHEMBL7769353

NC(=O)CCNC(=O)CBr

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 2/20 0.39
HDAC4 P56524 2/20 0.39
HDAC1 Q13547 2/20 0.39
HDAC7 Q8WUI4 2/20 0.39
HDAC2 Q92769 2/20 0.39
HDAC10 Q969S8 2/20 0.39
HDAC11 Q96DB2 2/20 0.39
HDAC8 Q9BY41 2/20 0.39
HDAC6 Q9UBN7 2/20 0.39
HDAC9 Q9UKV0 2/20 0.39
HDAC5 Q9UQL6 2/20 0.39
ECE1 P42892 2/20 0.35
ALDH1A1 P00352 2/20 0.35
FAAH O00519 1/20 0.35
AANAT Q16613 1/20 0.33
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CASP2 P42575 1/20 0.30
ITGB3 P05106 1/20 0.30

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
SCHEMBL30921557 0.87 HDAC3 (0.35) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL24712683 0.85 HDAC3 (0.54) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL10866810 0.79 HDAC3 (0.41) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL19647329 0.78 CA2 (0.38) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL2200631 0.78 CA2 (0.38) ECE1ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL7765731 0.78 ALDH1A1 (0.54) ECE1ALDH1A1FAAHMEN1KMT2A
SCHEMBL13368240 0.78 ECE1 (0.37) ECE1ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL2032064 0.78 ECE1 (0.58) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL12573540 0.76 TSHR (0.42) ECE1ALDH1A1CASP2ITGB3ITGA2B
SCHEMBL7769667 0.76 ECE1 (0.35) ECE1ALDH1A1FAAHMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11173199-B2 Low contaminant compositions ALOPEXX INC. (US) 2021-11-16 US disclosed
EP-0765879-B1 13-Substituted milbemycin 5-oxime derivatives, their preparation and their use against insects and other pests SANKYO CO (JP) 2001-02-14 EP disclosed
US-5861429-A MITICIDES AND ANTHELMINTICS SANKYO COMPANY, LIMITED (JP) 1999-01-19 US disclosed
EP-0765879-A1 13-Substituted milbemycin 5-oxime derivatives, their preparation and their use against insects and other pests SANKYO COMPANY LIMITED (JP) 1997-04-02 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-11173199-B2 Low contaminant compositions FUT6, CSGALNACT1, FUT5 HDAC3 1009/4885HDAC4 1958/4885HDAC1 2315/4885

“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.