SCHEMBL8248792

SCHEMBL8248792

O=C(NO)c1cnc(N2CC3C(C2)C3N2CCc3ccccc3C2)nc1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 20/20 0.57
HDAC3 O15379 19/20 0.57
HDAC4 P56524 19/20 0.57
HDAC1 Q13547 19/20 0.57
HDAC7 Q8WUI4 19/20 0.57
HDAC2 Q92769 19/20 0.57
HDAC10 Q969S8 19/20 0.57
HDAC11 Q96DB2 19/20 0.57
HDAC8 Q9BY41 19/20 0.57
HDAC9 Q9UKV0 19/20 0.57
HDAC5 Q9UQL6 19/20 0.57
CYP2D6 P10635 3/20 0.48
CYP2C19 P33261 2/20 0.48
CYP3A4 P08684 1/20 0.48
KCNH2 Q12809 1/20 0.47

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
SCHEMBL1011385 0.92 HDAC3 (0.63) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL1014478 0.87 ADRA1A (0.44) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL8252874 0.80 HDAC3 (0.56) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL8252640 0.79 HDAC3 (0.59) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL1012360 0.78 HDAC3 (0.44) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL8242146 0.77 HDAC6 (0.55) HDAC6HDAC3HDAC4HDAC1HDAC7
Hydrochloric Acid SCHEMBL1012595 0.77 HDAC3 (0.44) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL8251545 0.73 HDAC3 (1.00) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL12143467 0.72 HDAC6 (0.52) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL13203909 0.71 GRIN2D (0.61) HDAC6HDAC1HDAC11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7932246-B2 Histone deacetylase inhibitors CHROMA THERAPEUTICS LTD. (GB) 2011-04-26 US disclosed
US-7932246-B2 Histone deacetylase inhibitors CHROMA THERAPEUTICS LTD. (GB) 2011-04-26 US disclosed
EP-1881977-B1 HISTONE DEACETYLASE INHIBITORS CHROMA THERAPEUTICS LTD (GB) 2011-01-05 EP disclosed
US-20100152155-A1 Histone Deacetylase Inhibitors CHROMA THERAPEUTICS LTD. (GB) 2010-06-17 US disclosed
US-20100152155-A1 Histone Deacetylase Inhibitors CHROMA THERAPEUTICS LTD. (GB) 2010-06-17 US disclosed
WO-2006123121-A1 HISTONE DEACETYLASE INHIBITORS CHROMA THERAPEUTICS LTD (GB) 2006-11-23 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-20100152155-A1 Histone Deacetylase Inhibitors HDAC1, HDAC2, HDAC11 HDAC6 10/4885HDAC3 6/4885HDAC4 7/4885

“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.