SCHEMBL8286971

SCHEMBL8286971

COc1ncccc1C(=O)NCCS

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.56
MAPT P10636 1/20 0.56
HPGD P15428 3/20 0.52
LMNA P02545 3/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
KMT2A Q03164 2/20 0.51
MEN1 O00255 1/20 0.51
MAPK8 P45983 3/20 0.47

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
SCHEMBL6360387 0.87 GAA (0.57) GAAMAPTHPGDLMNASMN1; SMN2
SCHEMBL23136224 0.84 GAA (0.60) GAAMAPTHPGDLMNASMN1; SMN2
SCHEMBL1753441 0.83 GAA (0.54) GAAMAPTHPGDLMNASMN1; SMN2
SCHEMBL11812817 0.82 KMT2A (0.63) GAAMAPTHPGDLMNASMN1; SMN2
SCHEMBL10073072 0.82 KMT2A (0.63) GAAMAPTKMT2AMEN1MAPK8
SCHEMBL6433174 0.81 HPGD (0.56) GAAMAPTHPGDLMNASMN1; SMN2
SCHEMBL12308102 0.80 KDM4E (0.50) MAPTKMT2AMEN1
SCHEMBL20837329 0.80 ALDH1A1 (0.66) GAAMAPTHPGDLMNASMN1; SMN2
SCHEMBL30623889 0.80 ALDH1A1 (0.66) GAAMAPTHPGDLMNASMN1; SMN2
SCHEMBL5948114 0.80 MAPT (0.66) GAAMAPTHPGDLMNASMN1; 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 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 GAA 1560/4885MAPT 490/4885HPGD 2634/4885
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 GAA 2648/4885MAPT 427/4885HPGD 1599/4885

“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.