SCHEMBL20804530

SCHEMBL20804530

N#Cc1cc(C(=O)NCCc2ccccc2)cc(C(=O)NCCc2ccccc2)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 2/20 0.61
HDAC8 Q9BY41 2/20 0.61
HDAC6 Q9UBN7 2/20 0.61
HDAC3 O15379 1/20 0.61
HDAC4 P56524 1/20 0.61
HDAC1 Q13547 1/20 0.61
HDAC7 Q8WUI4 1/20 0.61
HDAC10 Q969S8 1/20 0.61
HDAC11 Q96DB2 1/20 0.61
HDAC9 Q9UKV0 1/20 0.61
HDAC5 Q9UQL6 1/20 0.61
MEN1 O00255 3/20 0.58
KMT2A Q03164 3/20 0.58
RAB9A P51151 13/20 0.56
NPC1 O15118 11/20 0.56
SMN1; SMN2 Q16637 3/20 0.54
MAPT P10636 2/20 0.54
NFKB1 P19838 1/20 0.54
NFKB2 Q00653 1/20 0.54
RELA Q04206 1/20 0.54

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
SCHEMBL14502263 0.87 HDAC2 (0.68) HDAC2HDAC8HDAC6MEN1KMT2A
SCHEMBL20804533 0.85 RAB9A (0.56) HDAC2HDAC8HDAC6HDAC3HDAC4
SCHEMBL22304851 0.85 HDAC2 (0.59) HDAC2HDAC8HDAC6RAB9ASMN1; SMN2
SCHEMBL751214 0.79 HDAC2 (0.80) HDAC2HDAC8HDAC6HDAC3HDAC4
Hydrochloric Acid SCHEMBL28193721 0.77 HDAC2 (0.77) HDAC2HDAC8HDAC6HDAC3HDAC4
SCHEMBL6842122 0.77 HDAC2 (0.80) HDAC2HDAC8HDAC6HDAC3HDAC4
SCHEMBL9011235 0.77 RAB9A (0.73) HDAC2HDAC8HDAC6HDAC3HDAC4
SCHEMBL17372583 0.77 SIGMAR1 (0.62) HDAC2HDAC8HDAC6MEN1KMT2A
SCHEMBL3984665 0.77 GAA (0.64) HDAC2HDAC8HDAC6HDAC3HDAC4
SCHEMBL20764433 0.77 RAB9A (0.58) HDAC2HDAC8HDAC6MEN1KMT2A

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-20230302030-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND USE THEREOF AS INHIBITORS OF RAN GTPase CENTRE HOSPITALIER DE L'UNIVERSITE DE MONTREAL (CA) 2023-09-28 US disclosed
US-20200246365-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND USE THEREOF AS INHIBITORS OF RAN GTPASE CENTRE HOSPITALIER DE L'UNIVERSITÉ DE MONTRÉAL (CA) 2020-08-06 US disclosed
WO-2019046931-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND USE THEREOF AS INHIBITORS OF RAN GTPASE THE ROYAL INSTITUTION FOR THE ADVANCEMENT OF LEARNING/MCGILL UNIVERSITY (CA) 2019-03-14 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 (2 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-20200246365-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND USE THEREOF AS INHIBITORS OF RAN GTPASE RAN, RANBP1, GDI2 HDAC2 1258/4885HDAC8 1039/4885HDAC6 79/4885
US-20230302030-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND USE THEREOF AS INHIBITORS OF RAN GTPase RAN, RANBP1, GDI2 HDAC2 1258/4885HDAC8 1039/4885HDAC6 79/4885

“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.