SCHEMBL3129403

SCHEMBL3129403

COc1ccccc1NC(=O)CS

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.65
MEN1 O00255 3/20 0.65
KMT2A Q03164 3/20 0.65
POLB P06746 2/20 0.65
MAPT P10636 2/20 0.61
HSD17B10 Q99714 1/20 0.61
LMNA P02545 1/20 0.61
USP2 O75604 1/20 0.61
TSHR P16473 1/20 0.61
HTT P42858 1/20 0.60
HDAC3 O15379 1/20 0.60
HDAC4 P56524 1/20 0.60
HDAC1 Q13547 1/20 0.60
HDAC7 Q8WUI4 1/20 0.60
HDAC2 Q92769 1/20 0.60
HDAC10 Q969S8 1/20 0.60
HDAC11 Q96DB2 1/20 0.60
HDAC8 Q9BY41 1/20 0.60
HDAC6 Q9UBN7 1/20 0.60
HDAC9 Q9UKV0 1/20 0.60

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
SCHEMBL2007035 0.87 MEN1 (0.76) ALDH1A1MEN1KMT2APOLBMAPT
SCHEMBL4780753 0.84 SMN1; SMN2 (0.72) ALDH1A1MEN1KMT2APOLBMAPT
SCHEMBL14899353 0.84 ALDH1A1 (0.67) ALDH1A1MEN1KMT2APOLBMAPT
SCHEMBL31561745 0.83 ALDH1A1 (0.65) ALDH1A1MEN1KMT2APOLBMAPT
SCHEMBL482452 0.83 ALDH1A1 (0.65) ALDH1A1MEN1KMT2APOLBMAPT
SCHEMBL29389614 0.83 KMT2A (0.74) ALDH1A1MEN1KMT2APOLBMAPT
SCHEMBL1645833 0.83 ADRA2C (0.67) ALDH1A1MEN1KMT2APOLBMAPT
SCHEMBL9191016 0.83 ALDH1A1 (0.65) ALDH1A1MEN1KMT2APOLBMAPT
SCHEMBL31146391 0.83 ALDH1A1 (0.65) ALDH1A1MEN1KMT2APOLBMAPT
SCHEMBL31590799 0.83 KMT2A (0.69) ALDH1A1MEN1KMT2APOLBMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010001220-A1 NEW 1,2,4-TRIAZINE DERIVATIVES AND BIOLOGICAL APPLICATIONS THEREOF MUTABILIS SA (FR) 2010-01-07 WO disclosed
EP-2141164-A1 New 1,2,4-triazine derivatives and biological applications thereof Mutabilis (FR) 2010-01-06 EP disclosed
US-20080090891-A1 ION CHANNEL MODULATORS WYETH (US) 2008-04-17 US disclosed
US-20080090891-A1 ION CHANNEL MODULATORS WYETH (US) 2008-04-17 US disclosed
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 (3 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 3706/4885MEN1 3147/4885KMT2A 3236/4885
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 756/4885MEN1 4056/4885KMT2A 3232/4885
US-20080090891-A1 ION CHANNEL MODULATORS CACNA1B, CACNA1C, TRPV1 ALDH1A1 3706/4885MEN1 3147/4885KMT2A 3236/4885

“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.