SCHEMBL2129886

SCHEMBL2129886

O=C(/C=C/c1ccc(Cn2cc(-c3ccc(CN4CCCC4)cc3)nn2)cc1)NO

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 13/20 0.72
HDAC6 Q9UBN7 11/20 0.72
HDAC2 Q92769 10/20 0.72
HDAC3 O15379 8/20 0.72
CHRM1 P11229 2/20 0.54
HTR2A P28223 2/20 0.54
MCHR1 Q99705 2/20 0.54
HDAC10 Q969S8 8/20 0.51
HDAC8 Q9BY41 8/20 0.51
HDAC4 P56524 6/20 0.51
HDAC7 Q8WUI4 6/20 0.51
HDAC11 Q96DB2 6/20 0.51
HDAC9 Q9UKV0 6/20 0.51
HDAC5 Q9UQL6 6/20 0.51
KCNH2 Q12809 3/20 0.47
MEN1 O00255 1/20 0.46
CASP3 P42574 1/20 0.46
KMT2A Q03164 1/20 0.46
SENP8 Q96LD8 1/20 0.46
SENP7 Q9BQF6 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
SCHEMBL1164798 1.00 HDAC1 (0.72) HDAC1HDAC6HDAC2HDAC3CHRM1
SCHEMBL3439452 0.91 HDAC1 (0.63) HDAC1HDAC6HDAC2HDAC3CHRM1
SCHEMBL3439448 0.91 HDAC3 (0.62) HDAC1HDAC6HDAC2HDAC3HDAC10
Hydrochloric Acid SCHEMBL1165157 0.91 HDAC1 (0.62) HDAC1HDAC6HDAC2HDAC3CHRM1
Hydrochloric Acid SCHEMBL1165158 0.91 HDAC1 (0.62) HDAC1HDAC6HDAC2HDAC3CHRM1
SCHEMBL1164893 0.90 HDAC3 (0.67) HDAC1HDAC6HDAC2HDAC3CHRM1
SCHEMBL1164894 0.90 HDAC3 (0.67) HDAC1HDAC6HDAC2HDAC3CHRM1
SCHEMBL1164724 0.89 HDAC3 (0.65) HDAC1HDAC6HDAC2HDAC3CHRM1
SCHEMBL1164723 0.89 HDAC3 (0.65) HDAC1HDAC6HDAC2HDAC3CHRM1
SCHEMBL2128745 0.87 HDAC2 (0.64) HDAC1HDAC6HDAC2HDAC3HDAC10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120101099-A1 HISTONE DEACETYLASE INHIBITORS ANTHEM BIOSCIENCES PRIVATE LIMITED (IN) 2012-04-26 US disclosed
US-20120101099-A1 HISTONE DEACETYLASE INHIBITORS ANTHEM BIOSCIENCES PRIVATE LIMITED (IN) 2012-04-26 US disclosed
US-20120101099-A1 HISTONE DEACETYLASE INHIBITORS ANTHEM BIOSCIENCES PRIVATE LIMITED (IN) 2012-04-26 US disclosed
WO-2011021209-A1 HISTONE DEACETYLASE INHIBITORS PORTSMOUTH TECHNOLOGIES LLC (US) 2011-02-24 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-20120101099-A1 HISTONE DEACETYLASE INHIBITORS HDAC1, HDAC3, HDAC11 HDAC1 1/4885HDAC6 8/4885HDAC2 4/4885

“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.