SCHEMBL3439449

SCHEMBL3439449

CN(C)Cc1ccc(-c2cn(Cc3ccc(/C=C/C(=O)NO)cc3)nn2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 10/20 0.64
HDAC3 O15379 5/20 0.64
HDAC1 Q13547 8/20 0.50
HDAC2 Q92769 7/20 0.50
HDAC8 Q9BY41 4/20 0.48
HDAC4 P56524 2/20 0.47
MEF2D Q14814 1/20 0.47
SNCA P37840 1/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
HSP90AA1 P07900 1/20 0.46
HSP90AB1 P08238 1/20 0.46
CASP3 P42574 1/20 0.46
SENP8 Q96LD8 1/20 0.46
SENP7 Q9BQF6 1/20 0.46
SENP6 Q9GZR1 1/20 0.46
HDAC10 Q969S8 3/20 0.46
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
TGM2 P21980 1/20 0.45

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
SCHEMBL3439455 0.90 HDAC4 (0.59) HDAC6HDAC3HDAC1HDAC2HDAC8
SCHEMBL3439446 0.89 HDAC6 (0.54) HDAC6HDAC3HDAC1HDAC2HDAC8
Hydrochloric Acid SCHEMBL1164606 0.89 HDAC4 (0.58) HDAC6HDAC3HDAC1HDAC2HDAC8
Hydrochloric Acid SCHEMBL1164609 0.89 HDAC4 (0.58) HDAC6HDAC3HDAC1HDAC2HDAC8
SCHEMBL2128746 0.87 HDAC2 (0.64) HDAC6HDAC3HDAC1HDAC2HDAC8
SCHEMBL2128745 0.87 HDAC2 (0.64) HDAC6HDAC3HDAC1HDAC2HDAC8
SCHEMBL3439447 0.86 HDAC2 (0.60) HDAC6HDAC3HDAC1HDAC2HDAC8
SCHEMBL3439437 0.85 MEN1 (0.62) HDAC6HDAC3HDAC1HDAC2HDAC8
SCHEMBL1165015 0.84 HDAC1 (0.69) HDAC6HDAC3HDAC1HDAC2HDAC8
SCHEMBL2129886 0.83 HDAC1 (0.72) HDAC6HDAC3HDAC1HDAC2HDAC8

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 2 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

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 HDAC6 8/4885HDAC3 2/4885HDAC1 1/4885

“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.