SCHEMBL8250702

SCHEMBL8250702

O=C(NO)c1cnc(N2CCC3(CC2)CCN(S(=O)(=O)c2ccc4ccccc4c2)CC3)nc1

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 17/20 0.83
HDAC1 Q13547 17/20 0.83
HDAC2 Q92769 17/20 0.83
HDAC6 Q9UBN7 17/20 0.83
HDAC4 P56524 12/20 0.83
HDAC7 Q8WUI4 12/20 0.83
HDAC10 Q969S8 12/20 0.83
HDAC11 Q96DB2 12/20 0.83
HDAC8 Q9BY41 12/20 0.83
HDAC9 Q9UKV0 12/20 0.83
HDAC5 Q9UQL6 12/20 0.83
CYP3A4 P08684 2/20 0.58
CYP2D6 P10635 2/20 0.58
CYP2C19 P33261 1/20 0.58
USP2 O75604 1/20 0.52
LMNA P02545 1/20 0.52
TSHR P16473 1/20 0.52
MAPK1 P28482 1/20 0.52
HSD17B10 Q99714 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.51

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
R-306465 SCHEMBL1663202 0.91 HDAC3 (1.00) HDAC3HDAC1HDAC2HDAC6HDAC4
R-306465 SCHEMBL31237823 0.91 HDAC3 (1.00) HDAC3HDAC1HDAC2HDAC6HDAC4
SCHEMBL1012018 0.88 HDAC3 (0.64) HDAC3HDAC1HDAC2HDAC6HDAC4
SCHEMBL10225878 0.87 HDAC3 (0.92) HDAC3HDAC1HDAC2HDAC6HDAC4
SCHEMBL12341260 0.84 HDAC6 (0.82) HDAC3HDAC1HDAC2HDAC6HDAC4
SCHEMBL12341261 0.84 HDAC6 (0.82) HDAC3HDAC1HDAC2HDAC6HDAC4
SCHEMBL8251579 0.84 HDAC3 (1.00) HDAC3HDAC1HDAC2HDAC6HDAC4
SCHEMBL10194594 0.80 HDAC6 (0.64) HDAC3HDAC1HDAC2HDAC6HDAC4
SCHEMBL1618952 0.79 HDAC1 (0.78) HDAC3HDAC1HDAC2HDAC6HDAC4
SCHEMBL335493 0.79 HDAC3 (0.78) HDAC3HDAC1HDAC2HDAC6HDAC4

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 HDAC3 6/4885HDAC1 1/4885HDAC2 2/4885

“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.