SCHEMBL2829700

SCHEMBL2829700

NC(=O)C(=Cc1ccc(/C=C/C(=O)NO)cc1)c1ccc(F)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 6/20 0.55
HDAC4 P56524 5/20 0.55
HDAC3 O15379 5/20 0.55
HDAC2 Q92769 5/20 0.55
HDAC8 Q9BY41 5/20 0.55
HDAC6 Q9UBN7 5/20 0.55
HDAC10 Q969S8 4/20 0.55
HDAC11 Q96DB2 4/20 0.55
HDAC5 Q9UQL6 4/20 0.55
HDAC7 Q8WUI4 3/20 0.55
HDAC9 Q9UKV0 3/20 0.55
TNFRSF1A P19438 1/20 0.50
MMP1 P03956 2/20 0.49
MMP2 P08253 2/20 0.49
MMP9 P14780 2/20 0.49
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA9 Q16790 1/20 0.47
ALDH1A1 P00352 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
SCHEMBL3741827 1.00 HDAC1 (0.55) HDAC1HDAC4HDAC3HDAC2HDAC8
SCHEMBL8060566 1.00 HDAC1 (0.55) HDAC1HDAC4HDAC3HDAC2HDAC8
SCHEMBL2829702 1.00 HDAC1 (0.55) HDAC1HDAC4HDAC3HDAC2HDAC8
SCHEMBL3746740 0.86 HDAC2 (0.63) HDAC1HDAC4HDAC3HDAC2HDAC8
SCHEMBL8060005 0.86 HDAC2 (0.63) HDAC1HDAC4HDAC3HDAC2HDAC8
SCHEMBL3748373 0.86 HDAC2 (0.63) HDAC1HDAC4HDAC3HDAC2HDAC8
SCHEMBL3746746 0.86 HDAC2 (0.63) HDAC1HDAC4HDAC3HDAC2HDAC8
SCHEMBL3746729 0.84 HDAC1 (0.53) HDAC1HDAC4HDAC3HDAC2HDAC8
SCHEMBL8059075 0.84 HDAC1 (0.53) HDAC1HDAC4HDAC3HDAC2HDAC8
SCHEMBL3746723 0.84 HDAC1 (0.53) HDAC1HDAC4HDAC3HDAC2HDAC8

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-8450525-B2 Histone deacetylase inhibitors ORCHID CHEMICALS & PHARMACEUTICALS LIMITED (IN) 2013-05-28 US claimed
US-20100291003-A1 HISTONE DEACETYLASE INHIBITORS ORCHID RESEARCH LABORATORIES LIMITED (IN) 2010-11-18 US claimed
US-8450525-B2 Histone deacetylase inhibitors ORCHID CHEMICALS & PHARMACEUTICALS LIMITED (IN) 2013-05-28 US disclosed
US-20100291003-A1 HISTONE DEACETYLASE INHIBITORS ORCHID RESEARCH LABORATORIES LIMITED (IN) 2010-11-18 US disclosed
EP-2209765-A2 HISTONE DEACETYLASE INHIBITORS Orchid Research Laboratories Limited (IN) 2010-07-28 EP disclosed
WO-2009053808-A2 HISTONE DEACETYLASE INHIBITORS ORCHID RESEARCH LABORATORIES LIMITED (IN) 2009-04-30 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-20100291003-A1 HISTONE DEACETYLASE INHIBITORS HDAC1, HDAC11, HDAC5 HDAC1 1/4885HDAC4 4/4885HDAC3 10/4885

“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.