SCHEMBL3746740

SCHEMBL3746740

NC(=O)C(=Cc1ccc(/C=C/C(=O)NO)cc1)c1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 12/20 0.63
HDAC3 O15379 12/20 0.63
HDAC1 Q13547 12/20 0.63
HDAC8 Q9BY41 11/20 0.63
HDAC4 P56524 10/20 0.63
HDAC6 Q9UBN7 10/20 0.63
HDAC10 Q969S8 10/20 0.63
HDAC7 Q8WUI4 9/20 0.63
HDAC11 Q96DB2 9/20 0.63
HDAC9 Q9UKV0 9/20 0.63
HDAC5 Q9UQL6 9/20 0.63
HTT P42858 1/20 0.48
EGFR P00533 1/20 0.47
MMP1 P03956 1/20 0.47
MMP2 P08253 1/20 0.47
MMP9 P14780 1/20 0.47
MAOA P21397 1/20 0.47
MAOB P27338 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
SCHEMBL3748373 1.00 HDAC2 (0.63) HDAC2HDAC3HDAC1HDAC8HDAC4
SCHEMBL8060005 1.00 HDAC2 (0.63) HDAC2HDAC3HDAC1HDAC8HDAC4
SCHEMBL3746746 1.00 HDAC2 (0.63) HDAC2HDAC3HDAC1HDAC8HDAC4
SCHEMBL3741827 0.86 HDAC1 (0.55) HDAC2HDAC3HDAC1HDAC8HDAC4
SCHEMBL2829700 0.86 HDAC1 (0.55) HDAC2HDAC3HDAC1HDAC8HDAC4
SCHEMBL8060566 0.86 HDAC1 (0.55) HDAC2HDAC3HDAC1HDAC8HDAC4
SCHEMBL2829702 0.86 HDAC1 (0.55) HDAC2HDAC3HDAC1HDAC8HDAC4
SCHEMBL23593943 0.81 AKR1C1 (0.70) HTT
SCHEMBL6689798 0.81 AKR1C1 (0.70) HTT
SCHEMBL2836206 0.81 AKR1C1 (0.70) HTT

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 4 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

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 HDAC2 6/4885HDAC3 10/4885HDAC1 1/4885

“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.