SCHEMBL2052062

SCHEMBL2052062

CC(C)n1nccc1-c1cc(Br)cs1

nearest known ligand 0.40

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NR3C2 P08235 1/20 0.40
NPC1 O15118 1/20 0.34
IDH1 O75874 1/20 0.30

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
SCHEMBL2052712 0.84 NR3C2 (0.40) NR3C2IDH1
SCHEMBL2050359 0.76 NR3C2 (0.36) NR3C2
SCHEMBL2053669 0.74 CCNK (0.38) NR3C2NPC1
SCHEMBL2049849 0.73 ALDH1A1 (0.46) NR3C2NPC1
SCHEMBL14335657 0.70 NR3C2 (0.45) NR3C2NPC1IDH1
SCHEMBL2053415 0.70 L3MBTL1 (0.41)
SCHEMBL25616816 0.68 NR3C2 (0.49) NR3C2IDH1
SCHEMBL14336121 0.67 NR3C2 (0.48) NR3C2
SCHEMBL28840712 0.67 NR3C2 (0.36) NR3C2NPC1
SCHEMBL21817999 0.67

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
EP-2516423-A1 THIENYLPYRI (MI) DINYLAZOLE AND THEIR USE FOR CONTROLLING PHYTOPATHOGENIC FUNGI Bayer CropScience AG (DE) 2012-10-31 EP disclosed
CN-102762551-A Thienylpyri (mi) dinylpyrazoles and their use for controlling phytopathogenic fungi BAYER CROPSCIENCE AG 2012-10-31 CN disclosed
US-20110237588-A1 Thienylpyri(mi)dinylazole BAYER CROPSCIENCE AG (DE) 2011-09-29 US disclosed
WO-2011076725-A1 THIENYLPYRI (MI) DINYLAZOLE AND THEIR USE FOR CONTROLLING PHYTOPATHOGENIC FUNGI BAYER CROPSCIENCE AG (DE) 2011-06-30 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-20110237588-A1 Thienylpyri(mi)dinylazole PADI1, TH, H1-3 NR3C2 1253/4885NPC1 3690/4885IDH1 327/4885

“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.