SCHEMBL6514838

SCHEMBL6514838

CN(C)c1ccc(C(=O)Nc2ccc3sc(C(=O)NO)cc3c2)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 14/20 0.71
KCNK3 O14649 2/20 0.52
HDAC6 Q9UBN7 3/20 0.49
ALDH1A1 P00352 2/20 0.47
MAPT P10636 2/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
KDM4E B2RXH2 1/20 0.47
LMNA P02545 1/20 0.47
TP53 P04637 1/20 0.47
MCL1 Q07820 1/20 0.47
HSD17B10 Q99714 1/20 0.47
HDAC3 O15379 2/20 0.46
HDAC7 Q8WUI4 2/20 0.46
HDAC2 Q92769 2/20 0.46
HDAC8 Q9BY41 2/20 0.46
HDAC4 P56524 1/20 0.46
HDAC10 Q969S8 1/20 0.46
HDAC11 Q96DB2 1/20 0.46

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
SCHEMBL22718613 0.90 HDAC1 (0.60) HDAC1KCNK3ALDH1A1MAPTNPC1
SCHEMBL29427189 0.88 HDAC1 (0.55) HDAC1KCNK3ALDH1A1MAPTNPC1
SCHEMBL6509942 0.87 HDAC1 (0.70) HDAC1KCNK3HDAC6ALDH1A1MAPT
SCHEMBL6511964 0.86 HDAC1 (0.76) HDAC1HDAC6ALDH1A1MAPTNPC1
SCHEMBL22718544 0.85 HDAC1 (0.74) HDAC1HDAC6HDAC3HDAC8HDAC11
SCHEMBL6509553 0.85 HDAC1 (0.78) HDAC1HDAC6MAPTRAB9ATP53
SCHEMBL1886609 0.83 HDAC1 (1.00) HDAC1HDAC6HDAC3HDAC7HDAC2
SCHEMBL6508477 0.83 HDAC1 (0.71) HDAC1HDAC6ALDH1A1NPC1RAB9A
SCHEMBL6509337 0.83 HDAC1 (0.71) HDAC1HDAC6NPC1RAB9ASMN1; SMN2
SCHEMBL6514967 0.82 HDAC1 (0.74) HDAC1HDAC6HDAC3HDAC7HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050137234-A1 Histone deacetylase inhibitors SYRRX, INC. 2005-06-23 US claimed
US-20220213052-A1 INHIBITORS OF RNA-BINDING PROTEINS, COMPOSITIONS THEREOF, AND THERAPEUTIC USES THEROF THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2022-07-07 US disclosed
US-20220213052-A1 INHIBITORS OF RNA-BINDING PROTEINS, COMPOSITIONS THEREOF, AND THERAPEUTIC USES THEROF THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2022-07-07 US disclosed
EP-3963085-A2 INHIBITORS OF RNA-BINDING PROTEINS, COMPOSITIONS THEREOF, AND THERAPEUTIC USES THEREOF The University of North Carolina at Chapel Hill (US) 2022-03-09 EP disclosed
WO-2020242719-A2 INHIBITORS OF RNA-BINDING PROTEINS, COMPOSITIONS THEREOF, AND THERAPEUTIC USES THEREOF THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2020-12-03 WO disclosed
WO-2020242719-A2 INHIBITORS OF RNA-BINDING PROTEINS, COMPOSITIONS THEREOF, AND THERAPEUTIC USES THEREOF THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2020-12-03 WO disclosed
WO-2005066151-A2 HISTONE DEACETYLASE INHIBITORS TAKEDA SAN DIEGO, INC. (US) 2005-07-21 WO disclosed
WO-2005066151-A2 HISTONE DEACETYLASE INHIBITORS TAKEDA SAN DIEGO, INC. (US) 2005-07-21 WO disclosed
US-20050137234-A1 Histone deacetylase inhibitors SYRRX, INC. 2005-06-23 US 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-20220213052-A1 INHIBITORS OF RNA-BINDING PROTEINS, COMPOSITIONS THEREOF, AND THERAPEUTIC USES THEROF HNRNPF, RBM3, RBM15 HDAC1 1875/4885KCNK3 4610/4885HDAC6 1009/4885
US-20050137234-A1 Histone deacetylase inhibitors HDAC1, HDAC5, HDAC11 HDAC1 1/4885KCNK3 3776/4885HDAC6 10/4885

“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.