SCHEMBL3060050

SCHEMBL3060050

CSc1ccc(C=C(C(=O)NCCCCCCC(=O)NO)c2ccc(F)cc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.52
HDAC6 Q9UBN7 6/20 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
SCHEMBL12317364 1.00 HDAC1 (0.52) HDAC1HDAC6
SCHEMBL13136808 1.00 HDAC1 (0.52) HDAC1HDAC6
SCHEMBL8067481 0.93 HDAC1 (0.58) HDAC1HDAC6
SCHEMBL3049575 0.93 HDAC1 (0.58) HDAC1HDAC6
SCHEMBL3057358 0.91 SMN1; SMN2 (0.48) HDAC1HDAC6
SCHEMBL13136817 0.91 SMN1; SMN2 (0.48) HDAC1HDAC6
SCHEMBL13178014 0.89 AKR1C3 (0.55) HDAC1HDAC6
SCHEMBL8080397 0.89 SMN1; SMN2 (0.49)
SCHEMBL3044032 0.89 SMN1; SMN2 (0.49)
SCHEMBL6864353 0.89 HDAC1 (0.51) HDAC1HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100222379-A1 NOVEL HISTONE DEACETYLASE INHIBITORS ORCHID RESEARCH LABORATORIES LIMITED (IN) 2010-09-02 US claimed
EP-2205563-A2 NOVEL HISTONE DEACETYLASE INHIBITORS Orchid Research Laboratories Limited (IN) 2010-07-14 EP claimed
WO-2009047615-A2 NOVEL HISTONE DEACETYLASE INHIBITORS ORCHID RESEARCH LABORATORIES LIMITED (IN) 2009-04-16 WO claimed
US-8476255-B2 Histone deacetylase inhibitors ORCHID CHEMICALS & PHARMACEUTICALS LIMITED (IN) 2013-07-02 US disclosed
US-20100222379-A1 NOVEL HISTONE DEACETYLASE INHIBITORS ORCHID RESEARCH LABORATORIES LIMITED (IN) 2010-09-02 US disclosed
EP-2205563-A2 NOVEL HISTONE DEACETYLASE INHIBITORS Orchid Research Laboratories Limited (IN) 2010-07-14 EP disclosed
WO-2009047615-A2 NOVEL HISTONE DEACETYLASE INHIBITORS ORCHID RESEARCH LABORATORIES LIMITED (IN) 2009-04-16 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-20100222379-A1 NOVEL HISTONE DEACETYLASE INHIBITORS HDAC5, HDAC2, HDAC1 HDAC1 3/4885HDAC6 12/4885

“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.