SCHEMBL8288208

SCHEMBL8288208

COc1cccc(NC(=O)CCS)c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1B P49286 3/20 0.68
RAB9A P51151 2/20 0.68
L3MBTL1 Q9Y468 2/20 0.67
GAA P10253 1/20 0.67
ALOX15 P16050 1/20 0.67
HPGD P15428 3/20 0.63
NPC1 O15118 2/20 0.63
USP2 O75604 1/20 0.63
ALDH1A1 P00352 1/20 0.63
MTNR1A P48039 2/20 0.63
SMN1; SMN2 Q16637 4/20 0.62
MEN1 O00255 2/20 0.62
KMT2A Q03164 2/20 0.62
THRB P10828 1/20 0.61
LMNA P02545 1/20 0.60
TP53 P04637 1/20 0.59
POLB P06746 1/20 0.58
HDAC3 O15379 1/20 0.58
HDAC4 P56524 1/20 0.58
HDAC1 Q13547 1/20 0.58

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
SCHEMBL5806697 0.88 HPGD (0.67) MTNR1BRAB9AL3MBTL1GAAALOX15
SCHEMBL23080160 0.86 MTNR1B (0.70) MTNR1BRAB9AL3MBTL1GAAALOX15
SCHEMBL8278751 0.86 MTNR1B (0.89) MTNR1BRAB9AL3MBTL1GAAALOX15
SCHEMBL5142657 0.85 NPC1 (0.75) MTNR1BRAB9AL3MBTL1GAAALOX15
SCHEMBL4611370 0.85 MTNR1B (0.72) MTNR1BRAB9AL3MBTL1GAAALOX15
SCHEMBL3145750 0.85 RAB9A (0.72) MTNR1BRAB9AL3MBTL1GAAALOX15
SCHEMBL3145742 0.85 RAB9A (0.72) MTNR1BRAB9AL3MBTL1GAAALOX15
SCHEMBL13753200 0.84 MTNR1B (0.75) MTNR1BRAB9AL3MBTL1GAAALOX15
SCHEMBL1141400 0.83 MTNR1B (0.81) MTNR1BRAB9AL3MBTL1GAAALOX15
SCHEMBL2856692 0.83 HPGD (0.68) MTNR1BRAB9AL3MBTL1GAAALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070281937-A1 Ion Channel Modulators SCION PHARMACEUTICALS, INC. 2007-12-06 US disclosed
US-20070203194-A1 Calcium channel modulators comprising 3-thio-4H-1,2,4-triazoles or S-oxides thereof; angina, hypertension, congestive heart failure, myocardial ischemia, arrhythmia, diabetes, urinary incontinence, stroke, pain, brain injury, or neuronal disorders SCION PHARMACEUTICALS, INC. (US) 2007-08-30 US disclosed
US-20070203194-A1 Calcium channel modulators comprising 3-thio-4H-1,2,4-triazoles or S-oxides thereof; angina, hypertension, congestive heart failure, myocardial ischemia, arrhythmia, diabetes, urinary incontinence, stroke, pain, brain injury, or neuronal disorders SCION PHARMACEUTICALS, INC. (US) 2007-08-30 US disclosed
WO-2005087750-A1 ION CHANNEL MODULATORS WYETH (US) 2005-09-22 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 (2 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-20070281937-A1 Ion Channel Modulators CACNA1B, CACNA1C, TRPV1 MTNR1B 616/4885RAB9A 1595/4885L3MBTL1 3558/4885
US-20070203194-A1 Calcium channel modulators comprising 3-thio-4H-1,2,4-triazoles or S-oxides thereof; angina, hypertension, congestive heart failure, myocardial ischemia, arrhythmia, diabetes, urinary incontinence, stroke, pain, brain injury, or neuronal disorders CACNA1C, CACNA1D, CACNA1G MTNR1B 423/4885RAB9A 2889/4885L3MBTL1 1169/4885

“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.