SCHEMBL8249116

SCHEMBL8249116

CC(=O)ONC(=O)c1ccc(CNC(=O)OCc2cccs2)cc1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 8/20 0.47
RAB9A P51151 5/20 0.46
NPC1 O15118 3/20 0.46
POLB P06746 3/20 0.46
HDAC2 Q92769 4/20 0.46
HPGD P15428 3/20 0.46
HDAC8 Q9BY41 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
HDAC3 O15379 2/20 0.45
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 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
SCHEMBL5592552 0.90 HDAC1 (0.46) HDAC1RAB9ANPC1POLBHDAC2
SCHEMBL8246236 0.89 RAB9A (0.51) HDAC1RAB9ANPC1POLBHDAC2
SCHEMBL13316890 0.86 HDAC6 (0.50) HDAC1RAB9ANPC1POLBHDAC2
SCHEMBL8250477 0.86 RAB9A (0.51) HDAC1RAB9ANPC1POLBHDAC2
SCHEMBL8248244 0.85 HDAC6 (0.64) HDAC1RAB9ANPC1HDAC2HPGD
SCHEMBL5593007 0.83 RAB9A (0.48) HDAC1RAB9ANPC1POLBHDAC2
SCHEMBL5593004 0.83 RAB9A (0.48) HDAC1RAB9ANPC1POLBHDAC2
SCHEMBL8248413 0.83 HDAC1 (0.55) HDAC1RAB9ANPC1HDAC2HPGD
SCHEMBL3615851 0.82 LMNA (0.51) HDAC1RAB9ANPC1POLBHDAC2
SCHEMBL8249138 0.82 RAB9A (0.48) HDAC1RAB9ANPC1POLBHDAC2

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 HDAC1 307/4885RAB9A 601/4885NPC1 139/4885

“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.