SCHEMBL17382811

SCHEMBL17382811

CC(=O)Nc1ccc(/C(CSc2nc(O)cc(=O)[nH]2)=N\O)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
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
HDAC2 Q92769 1/20 0.61
HDAC8 Q9BY41 1/20 0.61
HDAC9 Q9UKV0 1/20 0.61
HDAC5 Q9UQL6 1/20 0.61
POLB P06746 3/20 0.55
GAA P10253 1/20 0.52
MAPT P10636 8/20 0.50
ALDH1A1 P00352 5/20 0.50
HPGD P15428 5/20 0.50
SMN1; SMN2 Q16637 4/20 0.50
MEN1 O00255 2/20 0.50
RECQL P46063 2/20 0.50
KMT2A Q03164 2/20 0.50
USP2 O75604 2/20 0.50
HSD17B10 Q99714 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
SCHEMBL17382993 0.87 HDAC6 (0.79) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL17383119 0.82 MAPT (0.43) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL17383102 0.75 POLB (0.62) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL17383072 0.74 HDAC6 (0.78) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL17383067 0.73 POLB (0.59) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL17383203 0.73 POLB (0.59) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL17383004 0.71 CYP1A2 (0.79) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL17383113 0.69 POLB (0.70) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL17383364 0.68 POLB (0.69) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL17383378 0.68 HDAC6 (0.78) HDAC6HDAC3HDAC1HDAC2HDAC5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9981920-B2 Inhibitors of histone deacetylase RODIN THERAPEUTICS, INC. (US) 2018-05-29 US disclosed
US-9981920-B2 Inhibitors of histone deacetylase RODIN THERAPEUTICS, INC. (US) 2018-05-29 US disclosed
US-20170204070-A1 INHIBITORS OF HISTONE DEACETYLASE JPMORGAN CHASE BANK, N.A. AS ADMINISTRATIVE AGENT 2017-07-20 US disclosed
US-20170204070-A1 INHIBITORS OF HISTONE DEACETYLASE JPMORGAN CHASE BANK, N.A. AS ADMINISTRATIVE AGENT 2017-07-20 US disclosed
WO-2015200619-A1 INHIBITORS OF HISTONE DEACETYLASE RODIN THERAPEUTICS, INC. (US) 2015-12-30 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-20170204070-A1 INHIBITORS OF HISTONE DEACETYLASE HDAC2, HDAC1, HDAC5 HDAC6 4/4885HDAC3 9/4885HDAC4 6/4885

“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.