SCHEMBL7769264

SCHEMBL7769264

CCOC(=O)NCCC(N)=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.44
ACHE P22303 11/20 0.44
GLA P06280 1/20 0.44
KMT2A Q03164 1/20 0.44
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
HDAC9 Q9UKV0 1/20 0.42
HDAC5 Q9UQL6 1/20 0.42
NCOR2 Q9Y618 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
MGAM O43451 1/20 0.39
GAA P10253 1/20 0.39
SI P14410 1/20 0.39

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
SCHEMBL7770088 0.90 ACHE (0.52) ALOX15ACHEGLAKMT2AHDAC3
SCHEMBL7771614 0.88 ACHE (0.50) ACHEHDAC3HDAC4HDAC1HDAC7
SCHEMBL7769333 0.84 ACHE (0.55) ACHEKMT2AL3MBTL1ALDH1A1
SCHEMBL29834112 0.82 ACHE (0.54) ACHEGLAKMT2AHDAC3HDAC4
SCHEMBL7771516 0.81 ACHE (0.62) ACHE
SCHEMBL27495408 0.81 ACHE (0.45) ACHEGLAKMT2AHDAC3HDAC4
SCHEMBL1425763 0.81 GAA (0.52) ACHEGLAKMT2AHDAC3HDAC4
SCHEMBL7255174 0.81 HDAC3 (0.46) ACHEGLAKMT2AHDAC3HDAC4
SCHEMBL7765979 0.80 EPHX1 (0.48) ACHEKMT2A
SCHEMBL20188130 0.79 TSHR (0.48) ACHEGLAKMT2AHDAC3HDAC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3101032-B1 ANTI-HER2 ANTIBODY-DRUG CONJUGATE DAIICHI SANKYO CO LTD (JP) 2019-01-16 EP disclosed
EP-2808324-A1 PYRROLE COMPOUND Kabushiki Kaisha Yakult Honsha (JP) 2014-12-03 EP disclosed
US-20140343017-A1 PYRROLE COMPOUND KABUSHIKI KAISHA YAKULT HONSHA (JP) 2014-11-20 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-20140343017-A1 PYRROLE COMPOUND TUBB3, TUBB1, TUBB ALOX15 4213/4885ACHE 4458/4885GLA 3838/4885

“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.