SCHEMBL8249138

SCHEMBL8249138

O=C(NCc1ccc(C(=O)NCCO)cc1)OCc1cccs1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.48
NPC1 O15118 5/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
HDAC8 Q9BY41 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
TAAR1 Q96RJ0 1/20 0.48
HPGD P15428 3/20 0.47
HDAC1 Q13547 4/20 0.46
ALDH1A1 P00352 1/20 0.45
MAPT P10636 1/20 0.45
SPHK2 Q9NRA0 1/20 0.45
SPHK1 Q9NYA1 1/20 0.45
HDAC2 Q92769 2/20 0.44
HDAC3 O15379 1/20 0.44
THRB P10828 1/20 0.44
MAOA P21397 1/20 0.43
LMNA P02545 1/20 0.43
POLB P06746 1/20 0.43

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
SCHEMBL8248244 0.87 HDAC6 (0.64) RAB9ANPC1HDAC8HDAC6HPGD
SCHEMBL13316890 0.86 HDAC6 (0.50) RAB9ANPC1SMN1; SMN2HDAC8HDAC6
SCHEMBL3615851 0.84 LMNA (0.51) RAB9ANPC1SMN1; SMN2HDAC8HDAC6
SCHEMBL5592534 0.84 HDAC6 (0.55) HDAC8HDAC6HDAC1HDAC2HDAC3
SCHEMBL8246236 0.84 RAB9A (0.51) RAB9ANPC1SMN1; SMN2HDAC8HDAC6
SCHEMBL8250477 0.83 RAB9A (0.51) RAB9ANPC1SMN1; SMN2HDAC8HDAC6
SCHEMBL5593007 0.83 RAB9A (0.48) RAB9ANPC1SMN1; SMN2HDAC8HDAC6
SCHEMBL5593004 0.83 RAB9A (0.48) RAB9ANPC1SMN1; SMN2HDAC8HDAC6
SCHEMBL5593002 0.82 TDP1 (0.53) RAB9ANPC1SMN1; SMN2HDAC8HDAC6
SCHEMBL8249116 0.82 HDAC1 (0.47) RAB9ANPC1SMN1; SMN2HDAC8HDAC6

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 139/4885SMN1; SMN2 3278/4885

“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.