SCHEMBL3057358

SCHEMBL3057358

CSc1ccc(C=C(C(=O)NCCCCCC(=O)NO)c2ccc(C)cc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.48
HDAC3 O15379 3/20 0.47
HDAC1 Q13547 3/20 0.47
HDAC2 Q92769 3/20 0.47
HDAC10 Q969S8 3/20 0.47
HDAC11 Q96DB2 3/20 0.47
HDAC8 Q9BY41 3/20 0.47
HDAC6 Q9UBN7 3/20 0.47
HDAC4 P56524 2/20 0.47
HDAC7 Q8WUI4 2/20 0.47
HDAC9 Q9UKV0 2/20 0.47
HDAC5 Q9UQL6 2/20 0.47
NCOR2 Q9Y618 1/20 0.46
GAA P10253 1/20 0.45
MAPT P10636 1/20 0.45

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
SCHEMBL13136817 1.00 SMN1; SMN2 (0.48) SMN1; SMN2HDAC3HDAC1HDAC2HDAC10
SCHEMBL3060050 0.91 HDAC1 (0.52) HDAC1HDAC6
SCHEMBL12317364 0.91 HDAC1 (0.52) HDAC1HDAC6
SCHEMBL13136808 0.91 HDAC1 (0.52) HDAC1HDAC6
SCHEMBL13178014 0.90 AKR1C3 (0.55) SMN1; SMN2HDAC3HDAC1HDAC2HDAC10
SCHEMBL3040480 0.89 HDAC6 (0.53) HDAC3HDAC1HDAC2HDAC10HDAC11
SCHEMBL13136814 0.89 HDAC6 (0.53) HDAC3HDAC1HDAC2HDAC10HDAC11
SCHEMBL6862401 0.89 SMN1; SMN2 (0.46) SMN1; SMN2HDAC3HDAC1HDAC2HDAC10
SCHEMBL6864353 0.88 HDAC1 (0.51) HDAC3HDAC1HDAC2HDAC10HDAC11
SCHEMBL8242490 0.87 HDAC1 (0.59) SMN1; SMN2HDAC3HDAC1HDAC2HDAC10

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 SMN1; SMN2 4066/4885HDAC3 13/4885HDAC1 3/4885

“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.