SCHEMBL2019259

SCHEMBL2019259

CCC(C(=O)Nc1ncc(C(=O)NO)s1)c1ccc(Br)cc1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 7/20 0.48
HDAC3 O15379 4/20 0.48
HDAC4 P56524 4/20 0.48
HDAC8 Q9BY41 4/20 0.48
HDAC6 Q9UBN7 4/20 0.48
FFAR2 O15552 3/20 0.47
POLB P06746 2/20 0.46
MAPT P10636 1/20 0.46
HDAC7 Q8WUI4 3/20 0.44
HDAC2 Q92769 3/20 0.44
HDAC10 Q969S8 3/20 0.44
HDAC11 Q96DB2 3/20 0.44
HDAC9 Q9UKV0 3/20 0.44
HDAC5 Q9UQL6 3/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
PDE5A O76074 1/20 0.43
GCK P35557 3/20 0.43

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
SCHEMBL2015269 0.89 HDAC1 (0.50) HDAC1HDAC3HDAC4HDAC8HDAC6
SCHEMBL2016410 0.89 HDAC1 (0.61) HDAC1HDAC3HDAC4HDAC8HDAC6
SCHEMBL2018206 0.87 POLB (0.47) HDAC1HDAC3HDAC4HDAC8HDAC6
SCHEMBL2020130 0.87 HDAC1 (0.54) HDAC1HDAC3HDAC4HDAC8HDAC6
SCHEMBL22077754 0.87 POLB (0.47) HDAC1HDAC3HDAC4HDAC8HDAC6
SCHEMBL22111715 0.87 POLB (0.47) HDAC1HDAC3HDAC4HDAC8HDAC6
SCHEMBL2017780 0.85 HDAC1 (0.44) HDAC1HDAC3HDAC4HDAC8HDAC6
SCHEMBL2019164 0.81 KCNQ2 (0.48) HDAC1HDAC3HDAC4HDAC8HDAC6
SCHEMBL2019870 0.79 GLS (0.52) HDAC1HDAC3HDAC4HDAC8HDAC6
SCHEMBL2019336 0.77 GLS (0.47) HDAC1HDAC3HDAC4HDAC8HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9221773-B2 Benzamide derivatives THE TRANSLATIONAL GENOMICS RESEARCH INSTITUTE (US) 2015-12-29 US claimed
US-20130045982-A1 BENZAMIDE DERIVATIVES THE TRANSLATIONAL GENOMICS RESEARCH INSTITUTE (US) 2013-02-21 US claimed
WO-2011079036-A1 BENZAMIDE DERIVATIVES THE TRANSLATIONAL GENOMICS RESEARCH INSTITUTE (US) 2011-06-30 WO claimed
US-9221773-B2 Benzamide derivatives THE TRANSLATIONAL GENOMICS RESEARCH INSTITUTE (US) 2015-12-29 US disclosed
US-9221773-B2 Benzamide derivatives THE TRANSLATIONAL GENOMICS RESEARCH INSTITUTE (US) 2015-12-29 US disclosed
US-20130045982-A1 BENZAMIDE DERIVATIVES THE TRANSLATIONAL GENOMICS RESEARCH INSTITUTE (US) 2013-02-21 US disclosed
US-20130045982-A1 BENZAMIDE DERIVATIVES THE TRANSLATIONAL GENOMICS RESEARCH INSTITUTE (US) 2013-02-21 US disclosed
WO-2011079036-A1 BENZAMIDE DERIVATIVES THE TRANSLATIONAL GENOMICS RESEARCH INSTITUTE (US) 2011-06-30 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-20130045982-A1 BENZAMIDE DERIVATIVES BAD, BAK1, BRDT HDAC1 39/4885HDAC3 71/4885HDAC4 21/4885

“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.