SCHEMBL2326650

SCHEMBL2326650

CN1CCN(c2ccccc2C(=O)C=Cc2cccc(C=CC(=O)O)n2)CC1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 13/20 0.78
HDAC4 P56524 13/20 0.78
HDAC1 Q13547 13/20 0.78
HDAC7 Q8WUI4 13/20 0.78
HDAC2 Q92769 13/20 0.78
HDAC10 Q969S8 13/20 0.78
HDAC11 Q96DB2 13/20 0.78
HDAC8 Q9BY41 13/20 0.78
HDAC6 Q9UBN7 13/20 0.78
HDAC9 Q9UKV0 13/20 0.78
HDAC5 Q9UQL6 13/20 0.78
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
PIM2 Q9P1W9 3/20 0.45
PIM1 P11309 2/20 0.44
CSNK2A2 P19784 1/20 0.42
CSNK2A1 P68400 1/20 0.42
HTR6 P50406 1/20 0.41
ESR1 P03372 1/20 0.41
POLB P06746 1/20 0.40

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
SCHEMBL2326643 1.00 HDAC3 (0.78) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL2329381 0.88 HDAC3 (1.00) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL2329396 0.88 HDAC3 (1.00) HDAC3HDAC4HDAC1HDAC7HDAC2
Hydrochloric Acid SCHEMBL2327927 0.87 HDAC3 (0.98) HDAC3HDAC4HDAC1HDAC7HDAC2
Hydrochloric Acid SCHEMBL2327921 0.87 HDAC3 (0.98) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL25202878 0.87 HDAC3 (0.77) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL30384469 0.87 HDAC3 (0.77) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL30383740 0.87 HDAC3 (0.77) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL25194380 0.87 HDAC3 (0.77) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL2324350 0.86 HDAC3 (0.77) HDAC3HDAC4HDAC1HDAC7HDAC2

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-20120115867-A1 NEW CLASS OF HISTONE DEACETYLASE INHIBITORS DAC S.R.L. (IT) 2012-05-10 US disclosed
EP-2197854-B1 A NEW CLASS OF HISTONE DEACETYLASE INHIBITORS DAC SRL (IT) 2011-08-10 EP disclosed
US-20100305123-A1 CLASS OF HISTONE DEACETYLASE INHIBITORS DAC S.R.L. (IT) 2010-12-02 US disclosed
EP-2197854-A1 A NEW CLASS OF HISTONE DEACETYLASE INHIBITORS DAC S.r.l. (IT) 2010-06-23 EP disclosed
EP-2033956-A1 A new class of histone deacetylase inhibitors DAC S.r.l. (IT) 2009-03-11 EP disclosed
WO-2009027395-A1 A NEW CLASS OF HISTONE DEACETYLASE INHIBITORS DAC S.R.L. (IT) 2009-03-05 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 (2 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-20120115867-A1 NEW CLASS OF HISTONE DEACETYLASE INHIBITORS HDAC3, HDAC5, HDAC1 HDAC3 1/4885HDAC4 13/4885HDAC1 3/4885
US-20100305123-A1 CLASS OF HISTONE DEACETYLASE INHIBITORS HDAC3, HDAC1, HDAC5 HDAC3 1/4885HDAC4 13/4885HDAC1 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.