SCHEMBL17382802

SCHEMBL17382802

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

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 3/20 0.71
HDAC4 P56524 2/20 0.71
HDAC7 Q8WUI4 2/20 0.71
HDAC9 Q9UKV0 2/20 0.71
HDAC5 Q9UQL6 2/20 0.71
HDAC3 O15379 1/20 0.71
HDAC1 Q13547 1/20 0.71
HDAC2 Q92769 1/20 0.71
HDAC8 Q9BY41 1/20 0.71
ESR2 Q92731 1/20 0.68
SCN9A Q15858 2/20 0.64
LMNA P02545 3/20 0.62
MMP13 P45452 1/20 0.62
HPGD P15428 5/20 0.58
ALDH1A1 P00352 4/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
MAPT P10636 3/20 0.56
HSD17B10 Q99714 2/20 0.56
POLB P06746 2/20 0.55
TDP1 Q9NUW8 1/20 0.55

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
SCHEMBL18063501 0.79 HPGD (0.73) HDAC6SCN9ALMNAMMP13HPGD
SCHEMBL9692595 0.73 SMN1; SMN2 (0.54) HDAC6HDAC4HDAC7HDAC9HDAC5
SCHEMBL17383001 0.72 ALDH1A1 (1.00) HDAC6HDAC4HDAC7HDAC9HDAC5
SCHEMBL17382993 0.71 HDAC6 (0.79) HDAC6HDAC4HDAC7HDAC9HDAC5
SCHEMBL16910497 0.71 HPGD (0.73) LMNAMMP13HPGDALDH1A1SMN1; SMN2
SCHEMBL6841501 0.71 PARP1 (0.62) ALDH1A1MAPTKMT2A
SCHEMBL6836782 0.70 RAB9A (0.48) LMNAHPGDALDH1A1SMN1; SMN2MAPT
SCHEMBL9870231 0.69 LMNA (0.57) ESR2LMNAMMP13HPGDALDH1A1
SCHEMBL1890037 0.69 GPR84 (0.67) HDAC6HDAC5HDAC3HDAC1HDAC2
SCHEMBL17382811 0.68 HDAC6 (0.61) HDAC6HDAC4HDAC7HDAC9HDAC5

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-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
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 4/4885HDAC4 6/4885HDAC7 8/4885

“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.