SCHEMBL20524445

SCHEMBL20524445

COc1ccc(C(=O)CN(C)C(=O)O)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 2/20 0.56
HDAC4 P56524 2/20 0.56
HDAC1 Q13547 2/20 0.56
HDAC7 Q8WUI4 2/20 0.56
HDAC2 Q92769 2/20 0.56
HDAC10 Q969S8 2/20 0.56
HDAC11 Q96DB2 2/20 0.56
HDAC8 Q9BY41 2/20 0.56
HDAC6 Q9UBN7 2/20 0.56
HDAC9 Q9UKV0 2/20 0.56
HDAC5 Q9UQL6 2/20 0.56
GSK3B P49841 1/20 0.56
PDE4B Q07343 1/20 0.54
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
NPC1 O15118 1/20 0.53
RAB9A P51151 1/20 0.53
MAPT P10636 1/20 0.51
ACHE P22303 1/20 0.51
CES2 O00748 2/20 0.50

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
SCHEMBL3712653 0.84 HDAC3 (0.61) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL15973630 0.83 KDM4E (0.42) NPC1RAB9AATMRECQLMEN1
SCHEMBL8386047 0.81 HDAC3 (0.50) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL20524442 0.80 HDAC3 (0.53) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL24443450 0.80 ALDH1A1 (0.50) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL15974169 0.80 KDM4E (0.56) GSK3BNPC1RAB9AMAPTCES1
SCHEMBL15974756 0.79 NPC1 (0.50) NPC1RAB9ACES2CES1HSD11B1
SCHEMBL6665311 0.79 HDAC1 (0.53) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL725464 0.77 GSK3B (0.62) HDAC3HDAC4HDAC1HDAC7HDAC2
Hydrochloric Acid SCHEMBL727468 0.76 GSK3B (0.61) HDAC3HDAC4HDAC1HDAC7HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11339140-B2 Compositions and methods comprising substituted 2-aminoimidazoles CURZA GLOBAL, LLC (US) 2022-05-24 US disclosed
EP-3601232-A1 COMPOSITIONS AND METHODS COMPRISING SUBSTITUTED 2-AMINOIMIDAZOLES Curza Global LLC (US) 2020-02-05 EP disclosed
WO-2018184019-A1 COMPOSITIONS AND METHODS COMPRISING SUBSTITUTED 2-AMINOIMIDAZOLES CURZA GLOBAL, LLC (US) 2018-10-04 WO 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-11339140-B2 Compositions and methods comprising substituted 2-aminoimidazoles AADAC, PAICS, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 HDAC3 50/4885HDAC4 62/4885HDAC1 26/4885

“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.