SCHEMBL5437219

SCHEMBL5437219

CNC(=O)c1cccc(CC#N)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 1/20 0.55
HDAC8 Q9BY41 1/20 0.53
HDAC6 Q9UBN7 1/20 0.53
MRGPRX4 Q96LA9 2/20 0.48
ENPP2 Q13822 1/20 0.46
MMP3 P08254 1/20 0.44
SCN9A Q15858 1/20 0.42
KMT2A Q03164 3/20 0.42
MEN1 O00255 1/20 0.42
PLK1 P53350 1/20 0.42
HTT P42858 1/20 0.42
FFAR1 O14842 1/20 0.42
CTSV O60911 1/20 0.41
CTSL P07711 1/20 0.41
CTSB P07858 1/20 0.41
CTSS P25774 1/20 0.41
CTSK P43235 1/20 0.41
BRD4 O60885 2/20 0.41
GUSB P08236 1/20 0.41
CCNC P24863 1/20 0.41

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
SCHEMBL3617557 0.85 ALDH1A1 (0.54) SLC7A5HDAC8HDAC6ENPP2MMP3
SCHEMBL8277397 0.81 SLC7A5 (0.59) SLC7A5HDAC8HDAC6MRGPRX4KMT2A
SCHEMBL9004062 0.81 MAOB (0.51) MRGPRX4ENPP2MMP3HTTFFAR1
SCHEMBL7023817 0.81 MMP13 (0.47) HDAC8HDAC6ENPP2KMT2AHTT
SCHEMBL29539688 0.81 LOXL2 (0.64) SLC7A5MRGPRX4ENPP2KMT2AMEN1
SCHEMBL40562 0.81 LOXL2 (0.64) SLC7A5MRGPRX4ENPP2KMT2AMEN1
SCHEMBL11818 0.80 PLK1 (0.61) SLC7A5HDAC8HDAC6MRGPRX4KMT2A
SCHEMBL29471974 0.80 FOLH1 (0.59) MRGPRX4ENPP2MMP3KMT2AFFAR1
SCHEMBL1569612 0.80 SLC7A5 (0.60) SLC7A5HDAC8HDAC6MRGPRX4KMT2A
SCHEMBL2705263 0.80 FOLH1 (0.59) MRGPRX4ENPP2MMP3KMT2AFFAR1

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-20070093483-A1 Use of derivatives of 2, 4-dihydro-[1,2,4] triazole-3-thione as inhibitors of the enzyme myeloperoxidase (mpo) ASTRAZENECA AB (SE) 2007-04-26 US disclosed
CN-1780822-A Use of derivatives of 2, 4-dihydro- 1,2,4 triazole-3-thione as inhibitors of the enzyme myeloperoxidase (MPO) ASTRAZENECA AB (SE) 2006-05-31 CN disclosed
EP-1620410-A1 USE OF DERIVATIVES OF 2, 4-DIHYDRO- 1,2,4 TRIAZOLE-3-THIONE AS INHIBITORS OF THE ENZYME MYELOPEROXIDASE (MPO) AstraZeneca AB (SE) 2006-02-01 EP disclosed
WO-2004096781-A1 USE OF DERIVATIVES OF 2, 4-DIHYDRO-[1,2,4]TRIAZOLE-3-THIONE AS INHIBITORS O FTEH ENZYME MYELOPEROXIDASE (MPO) ASTRAZENECA AB (SE) 2004-11-11 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-20070093483-A1 Use of derivatives of 2, 4-dihydro-[1,2,4] triazole-3-thione as inhibitors of the enzyme myeloperoxidase (mpo) MPO, XDH, EPX SLC7A5 4201/4885HDAC8 1543/4885HDAC6 543/4885

“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.