SCHEMBL8250856

SCHEMBL8250856

CN(O)C(=O)c1ccc(CNC(=O)OCc2cccs2)cc1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.47
NPC1 O15118 3/20 0.47
POLB P06746 4/20 0.46
HPGD P15428 5/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
CYP3A4 P08684 1/20 0.43
LMNA P02545 1/20 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
HDAC1 Q13547 2/20 0.42
ALDH1A1 P00352 1/20 0.41
PKM P14618 1/20 0.41
HDAC2 Q92769 1/20 0.41
ATM Q13315 1/20 0.41

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
SCHEMBL8250405 0.89 RAB9A (0.46) RAB9ANPC1POLBHPGDSMN1; SMN2
SCHEMBL8249110 0.86 RAB9A (0.44) RAB9ANPC1POLBHPGDSMN1; SMN2
SCHEMBL8250477 0.85 RAB9A (0.51) RAB9ANPC1POLBHPGDSMN1; SMN2
SCHEMBL3615851 0.84 LMNA (0.51) RAB9ANPC1POLBHPGDSMN1; SMN2
SCHEMBL13316890 0.83 HDAC6 (0.50) RAB9ANPC1POLBHPGDSMN1; SMN2
SCHEMBL5593007 0.83 RAB9A (0.48) RAB9ANPC1POLBHPGDSMN1; SMN2
SCHEMBL5593004 0.83 RAB9A (0.48) RAB9ANPC1POLBHPGDSMN1; SMN2
SCHEMBL5600341 0.83 RAB9A (0.43) RAB9ANPC1POLBHPGDSMN1; SMN2
SCHEMBL8248244 0.82 HDAC6 (0.64) RAB9ANPC1HPGDLMNAHDAC8
SCHEMBL8246236 0.81 RAB9A (0.51) RAB9ANPC1POLBHPGDSMN1; 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 RAB9A 601/4885NPC1 139/4885POLB 3674/4885

“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.