SCHEMBL8288258

SCHEMBL8288258

COC(=O)c1ccc2nc(CS)[nH]c2c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.60
HTT P42858 2/20 0.60
KDM4E B2RXH2 1/20 0.60
LMNA P02545 1/20 0.60
L3MBTL1 Q9Y468 1/20 0.60
MAPT P10636 3/20 0.55
GAA P10253 1/20 0.55
PKM P14618 1/20 0.55
MAPK1 P28482 2/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
NPSR1 Q6W5P4 1/20 0.51
BRD4 O60885 1/20 0.51
MMP2 P08253 2/20 0.50
MLLT1 Q03111 1/20 0.50
MMP9 P14780 1/20 0.50
MMP8 P22894 1/20 0.50
MMP13 P45452 1/20 0.50
APEX1 P27695 1/20 0.49
MEN1 O00255 1/20 0.48
PSMD14 O00487 1/20 0.48

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
SCHEMBL14347066 0.87 ALDH1A1 (0.61) ALDH1A1HTTKDM4ELMNAL3MBTL1
SCHEMBL13931450 0.87 NPSR1 (0.68) ALDH1A1HTTKDM4ELMNAL3MBTL1
SCHEMBL30469417 0.86 ALDH1A1 (0.60) ALDH1A1HTTKDM4ELMNAL3MBTL1
SCHEMBL24329791 0.86 ALDH1A1 (0.60) ALDH1A1HTTKDM4ELMNAL3MBTL1
SCHEMBL3737240 0.85 ALDH1A1 (0.59) ALDH1A1HTTKDM4ELMNAL3MBTL1
SCHEMBL6015473 0.85 MAPT (0.60) ALDH1A1HTTKDM4ELMNAL3MBTL1
Hydrochloric Acid SCHEMBL29737901 0.85 ALDH1A1 (0.59) ALDH1A1HTTKDM4ELMNAL3MBTL1
SCHEMBL5029722 0.84 KDM4E (0.57) ALDH1A1HTTKDM4ELMNAL3MBTL1
SCHEMBL8632170 0.83 MAPT (0.64) ALDH1A1HTTKDM4ELMNAL3MBTL1
SCHEMBL6217370 0.81 HTT (0.64) ALDH1A1HTTKDM4ELMNAL3MBTL1

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 ALDH1A1 3706/4885HTT 316/4885KDM4E 3120/4885
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 ALDH1A1 756/4885HTT 2081/4885KDM4E 3205/4885

“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.