SCHEMBL8239129

SCHEMBL8239129

N/C(=N\O)c1ccc(CNC(=O)OCc2cccs2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAU P00749 1/20 0.46
RAB9A P51151 5/20 0.44
HPGD P15428 5/20 0.44
NPC1 O15118 4/20 0.44
ALDH1A1 P00352 1/20 0.44
TP53 P04637 1/20 0.44
HDAC1 Q13547 1/20 0.44
POLB P06746 5/20 0.44
LMNA P02545 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
L3MBTL1 Q9Y468 3/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA5A P35218 1/20 0.42
CA7 P43166 1/20 0.42
BLM P54132 1/20 0.42

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
SCHEMBL5593007 0.88 RAB9A (0.48) PLAURAB9AHPGDNPC1HDAC1
SCHEMBL3615851 0.84 LMNA (0.51) RAB9AHPGDNPC1HDAC1POLB
SCHEMBL5593004 0.83 RAB9A (0.48) RAB9AHPGDNPC1HDAC1POLB
SCHEMBL8250477 0.83 RAB9A (0.51) RAB9AHPGDNPC1HDAC1POLB
SCHEMBL8248244 0.82 HDAC6 (0.64) RAB9AHPGDNPC1HDAC1LMNA
SCHEMBL8246236 0.81 RAB9A (0.51) RAB9AHPGDNPC1HDAC1POLB
SCHEMBL13316890 0.81 HDAC6 (0.50) RAB9AHPGDNPC1HDAC1POLB
SCHEMBL8249116 0.80 HDAC1 (0.47) RAB9AHPGDNPC1HDAC1POLB
SCHEMBL8250856 0.79 RAB9A (0.47) RAB9AHPGDNPC1ALDH1A1HDAC1
SCHEMBL8249138 0.79 RAB9A (0.48) RAB9AHPGDNPC1ALDH1A1HDAC1

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 PLAU 4292/4885RAB9A 601/4885HPGD 562/4885

“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.