SCHEMBL8246412

SCHEMBL8246412

Nc1ccccc1NC(=O)Cc1csc(NC(=O)OCc2cccnc2)n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 7/20 0.54
HDAC1 Q13547 7/20 0.54
HDAC2 Q92769 7/20 0.54
HDAC4 P56524 6/20 0.54
HDAC7 Q8WUI4 5/20 0.54
HDAC10 Q969S8 5/20 0.54
HDAC11 Q96DB2 5/20 0.54
HDAC8 Q9BY41 5/20 0.54
HDAC6 Q9UBN7 5/20 0.54
HDAC9 Q9UKV0 5/20 0.54
HDAC5 Q9UQL6 5/20 0.54
KDM1A O60341 1/20 0.54
CYP3A4 P08684 1/20 0.54
F3 P13726 1/20 0.54
NCOR2 Q9Y618 1/20 0.54
MEF2D Q14814 1/20 0.51
GAA P10253 1/20 0.47
KDM4E B2RXH2 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MEN1 O00255 2/20 0.44

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
SCHEMBL8249057 0.90 HDAC1 (0.53) HDAC3HDAC1HDAC2HDAC4HDAC7
SCHEMBL8245740 0.90 HDAC3 (0.49) HDAC3HDAC1HDAC2HDAC4CYP3A4
SCHEMBL8245297 0.85 PDE5A (0.54) KDM4EMEN1ALDH1A1LMNAMAPT
SCHEMBL8250466 0.84 HTT (0.47) HDAC3HDAC1HDAC2HDAC4HDAC7
SCHEMBL3603106 0.83 ALDH1A1 (0.53) HDAC3HDAC1HDAC2HDAC4HDAC7
SCHEMBL8247957 0.82 GAA (0.48) HDAC3HDAC1HDAC2HDAC4CYP3A4
SCHEMBL8246351 0.82 GAA (0.49) HDAC3HDAC1HDAC2CYP3A4NCOR2
SCHEMBL13316882 0.82 CSNK1D (0.53) SMN1; SMN2MEN1ALDH1A1LMNAMAPT
SCHEMBL8249060 0.81 MEN1 (0.49) HDAC4MEF2DMEN1ALDH1A1LMNA
SCHEMBL8248018 0.81 TSHR (0.49) HDAC3HDAC1HDAC2CYP3A4SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100152188-A1 Novel Heterocyclic Compounds ORCHID RESEARCH LABORATORIES LIMITED (IN) 2010-06-17 US disclosed
US-20100152188-A1 Novel Heterocyclic Compounds ORCHID RESEARCH LABORATORIES LIMITED (IN) 2010-06-17 US disclosed
WO-2007017728-A2 NOVEL HETEROCYCLIC COMPOUNDS ORCHID RESEARCH LABORATORIES LIMITED (IN) 2007-02-15 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-20100152188-A1 Novel Heterocyclic Compounds CYP11B2, CYP3A5, CYP11B1 HDAC3 255/4885HDAC1 307/4885HDAC2 642/4885

“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.