SCHEMBL77674

SCHEMBL77674

CCCCCCCCOC(=O)Nc1nc(C(C)(C)C)cs1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.56
TSHR P16473 2/20 0.56
L3MBTL1 Q9Y468 1/20 0.51
ALDH1A1 P00352 6/20 0.49
ATAD2 Q6PL18 1/20 0.48
CSNK2A2 P19784 2/20 0.47
CSNK2A1 P68400 2/20 0.47
KMT2A Q03164 7/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
HPGD P15428 2/20 0.47
RAB9A P51151 6/20 0.47
MEN1 O00255 5/20 0.47
NPC1 O15118 5/20 0.47
POLB P06746 2/20 0.47
TAS1R3 Q7RTX0 1/20 0.47
TAS1R1 Q7RTX1 1/20 0.47
TAS1R2 Q8TE23 1/20 0.47
GAA P10253 1/20 0.47
LMNA P02545 3/20 0.46
MAPT P10636 2/20 0.46

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
SCHEMBL77077 0.99 MAPK1 (0.57) MAPK1TSHRL3MBTL1ALDH1A1ATAD2
SCHEMBL77461 0.90 ATAD2 (0.52) MAPK1TSHRALDH1A1ATAD2KMT2A
SCHEMBL78859 0.83 SMN1; SMN2 (0.53) MAPK1TSHRALDH1A1ATAD2KMT2A
SCHEMBL91407 0.82 TSHR (0.68) MAPK1TSHRL3MBTL1ALDH1A1CSNK2A2
SCHEMBL91861 0.81 TSHR (0.70) MAPK1TSHRL3MBTL1ALDH1A1CSNK2A2
SCHEMBL77371 0.79 KMT2A (0.63) MAPK1TSHRALDH1A1ATAD2KMT2A
SCHEMBL10078883 0.79 NPC1 (0.54) MAPK1TSHRALDH1A1ATAD2KMT2A
SCHEMBL4137597 0.79 NPC1 (0.54) MAPK1TSHRALDH1A1ATAD2KMT2A
SCHEMBL4680215 0.79 TSHR (0.67) MAPK1TSHRL3MBTL1ALDH1A1CSNK2A2
SCHEMBL10078920 0.78 KMT2A (0.69) MAPK1TSHRALDH1A1ATAD2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8129415-B2 Fungicide hydroximoyl-tetrazole derivatives BAYER CROPSCIENCE AG (DE) 2012-03-06 US disclosed
US-20090192196-A1 Fungicide hydroximoyl-tetrazole derivatives BAYER CROPSCIENCE AG (DE) 2009-07-30 US 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-20090192196-A1 Fungicide hydroximoyl-tetrazole derivatives HAAO, HAO1, CYP51A1 MAPK1 2712/4885TSHR 1440/4885L3MBTL1 428/4885

“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.