SCHEMBL791684

SCHEMBL791684

CCN(C(=O)c1ccc(SC)nc1)c1cccnc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.61
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2B6 P20813 1/20 0.47
CYP2C19 P33261 1/20 0.47
GAA P10253 1/20 0.44
TSHR P16473 1/20 0.44
TRPV1 Q8NER1 1/20 0.42
HPGD P15428 1/20 0.41
ALDH1A1 P00352 1/20 0.41
ADORA2A P29274 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
CXCR2 P25025 3/20 0.38
KDM4E B2RXH2 1/20 0.38
MAPT P10636 1/20 0.38
GFER P55789 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
TP53 P04637 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36

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
SCHEMBL790656 0.87 HTT (0.57) HTTCYP3A4CYP2C9CYP2B6CYP2C19
SCHEMBL790234 0.85 HTT (0.67) HTTCYP3A4CYP2C9CYP2B6CYP2C19
SCHEMBL789613 0.84 HTT (0.54) HTTCYP3A4CYP2C9CYP2B6CYP2C19
SCHEMBL789592 0.84 HTT (0.54) HTTCYP3A4CYP2C9CYP2B6CYP2C19
SCHEMBL791893 0.84 HTT (0.51) HTTCYP3A4CYP2C9CYP2B6CYP2C19
SCHEMBL12977982 0.84 HTT (0.61) HTTCYP3A4CYP2C9CYP2B6CYP2C19
SCHEMBL789948 0.84 TRPV1 (0.53) HTTCYP3A4CYP2C9CYP2C19GAA
SCHEMBL13095774 0.84 HTT (0.65) HTTCYP3A4CYP2C9CYP2B6CYP2C19
SCHEMBL12978205 0.82 HTT (0.52) HTTCYP3A4CYP2C9CYP2B6CYP2C19
SCHEMBL790472 0.82 HTT (0.52) HTTCYP3A4CYP2C9CYP2B6CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2615917-A2 PYRIDINE COMPOUNDS FOR CONTROLLING INVERTEBRATE PESTS III BASF SE (DE) 2013-07-24 EP disclosed
US-20130180014-A1 Pyridine Compounds for Controlling Invertebrate Pests III BASF SE (DE) 2013-07-11 US disclosed
WO-2012034959-A2 PYRIDINE COMPOUNDS FOR CONTROLLING INVERTEBRATE PESTS III BASF SE (DE) 2012-03-22 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 (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-20130180014-A1 Pyridine Compounds for Controlling Invertebrate Pests III CHRM1, CHRM2, GRIN2C HTT 1901/4885CYP3A4 642/4885CYP2C9 1710/4885

“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.