SCHEMBL2402966

SCHEMBL2402966

Nc1ccccc1NC(=O)C=Cc1ccc(CNC23CC4CC(CC(C4)C2)C3)cc1

nearest known ligand 0.62

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 19/20 0.62
KDM1A O60341 1/20 0.62
MAOA P21397 1/20 0.62
HDAC2 Q92769 1/20 0.62
RARB P10826 1/20 0.59
HDAC3 O15379 2/20 0.57
HDAC8 Q9BY41 2/20 0.57
HDAC6 Q9UBN7 2/20 0.57
HDAC4 P56524 1/20 0.57
HDAC5 Q9UQL6 1/20 0.57

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
SCHEMBL2402959 1.00 HDAC1 (0.62) HDAC1KDM1AMAOAHDAC2RARB
SCHEMBL2402989 0.90 HDAC1 (0.56) HDAC1KDM1AMAOAHDAC2RARB
SCHEMBL2402999 0.90 HDAC1 (0.56) HDAC1KDM1AMAOAHDAC2RARB
SCHEMBL17483915 0.86 HDAC1 (0.70) HDAC1KDM1AMAOAHDAC2RARB
SCHEMBL2403216 0.82 HDAC6 (0.76) HDAC1KDM1AMAOAHDAC2HDAC3
SCHEMBL2403223 0.82 HDAC6 (0.76) HDAC1KDM1AMAOAHDAC2HDAC3
SCHEMBL2404723 0.82 HDAC1 (0.48) HDAC1KDM1AMAOAHDAC2RARB
SCHEMBL2404726 0.82 HDAC1 (0.48) HDAC1KDM1AMAOAHDAC2RARB
SCHEMBL2403187 0.81 HDAC6 (0.64) HDAC1KDM1AMAOAHDAC2HDAC3
SCHEMBL17483896 0.81 RARB (0.56) HDAC1KDM1AMAOAHDAC2RARB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110212943-A1 NOVEL BRIDGED CYCLIC COMPOUNDS AS HISTONE DEACETYLASE INHIBITORS ORCHID RESEARCH LABORATORIES LIMITED (IN) 2011-09-01 US claimed
US-20110212943-A1 NOVEL BRIDGED CYCLIC COMPOUNDS AS HISTONE DEACETYLASE INHIBITORS ORCHID RESEARCH LABORATORIES LIMITED (IN) 2011-09-01 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-20110212943-A1 NOVEL BRIDGED CYCLIC COMPOUNDS AS HISTONE DEACETYLASE INHIBITORS HDAC1, HDAC11, HDAC7 HDAC1 1/4885KDM1A 105/4885MAOA 1194/4885

“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.