SCHEMBL12561256

SCHEMBL12561256

CN(CC(=O)NC(C)(C)C)C(=O)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 6/20 0.55
HDAC6 Q9UBN7 6/20 0.55
HDAC3 O15379 2/20 0.55
HDAC2 Q92769 2/20 0.55
CTSS P25774 1/20 0.49
CTSK P43235 1/20 0.49
F2 P00734 1/20 0.48
MAPT P10636 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
CYP2C9 P11712 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
EPHX1 P07099 1/20 0.44
POLB P06746 1/20 0.44
NPC1 O15118 2/20 0.43
LMNA P02545 1/20 0.43
CASP3 P42574 1/20 0.43
SENP8 Q96LD8 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
SENP6 Q9GZR1 1/20 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
SCHEMBL2565715 0.81 F2 (0.51) HDAC1HDAC6CTSSF2MEN1
SCHEMBL13342148 0.80 HDAC1 (0.52) HDAC1HDAC6HDAC3HDAC2CTSS
SCHEMBL2565712 0.80 F2 (0.50) HDAC1HDAC6CTSSCTSKF2
SCHEMBL12231007 0.79 TDP1 (0.62) F2MAPTMEN1KMT2ATDP1
SCHEMBL13543234 0.78 KMT2A (0.47) HDAC1HDAC6F2MEN1KMT2A
SCHEMBL12376720 0.77 F2 (0.57) HDAC1HDAC6F2MEN1KMT2A
SCHEMBL2282162 0.77 KMT2A (0.53) HDAC1HDAC6F2MEN1KMT2A
SCHEMBL11606625 0.75 ALDH1A1 (0.55) HDAC1HDAC6F2MAPTMEN1
SCHEMBL13337842 0.75 KMT2A (0.51) HDAC1HDAC6F2MEN1KMT2A
Hydrochloric Acid SCHEMBL1372985 0.75 KMT2A (0.51) HDAC1HDAC6F2MAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110130406-A1 PYRAZOLO-PYRIDINES AS TYROSINE KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2011-06-02 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-20110130406-A1 PYRAZOLO-PYRIDINES AS TYROSINE KINASE INHIBITORS TYRO3, LCK, LTK HDAC1 2631/4885HDAC6 2768/4885HDAC3 2934/4885

“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.