SCHEMBL77074

SCHEMBL77074

COc1ccccc1CNC(=O)Nc1nc(C(C)(C)C)cs1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.69
ROCK2 O75116 4/20 0.67
ROCK1 Q13464 3/20 0.67
KMT2A Q03164 8/20 0.57
MEN1 O00255 7/20 0.57
ALDH1A1 P00352 3/20 0.57
NPC1 O15118 3/20 0.57
RAB9A P51151 3/20 0.57
POLB P06746 3/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
HPGD P15428 4/20 0.57
ALOX15 P16050 2/20 0.57
HSD17B10 Q99714 2/20 0.57
GAA P10253 1/20 0.57
TDP1 Q9NUW8 1/20 0.57
ANO1 Q5XXA6 1/20 0.52
MAPT P10636 2/20 0.47
PKM P14618 1/20 0.47
HTT P42858 1/20 0.47
LMNA P02545 2/20 0.47

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
SCHEMBL2380035 0.87 MAPK1 (0.56) MAPK1ROCK2ROCK1KMT2AMEN1
SCHEMBL3174871 0.85 ROCK2 (0.64) MAPK1ROCK2ROCK1KMT2AMEN1
SCHEMBL91507 0.83 ROCK2 (0.69) ROCK2ROCK1KMT2AMEN1ALDH1A1
SCHEMBL3168891 0.82 MAPK14 (0.62) MAPK1ROCK2ROCK1KMT2AMEN1
SCHEMBL77442 0.81 KMT2A (0.68) MAPK1ROCK2ROCK1KMT2AMEN1
SCHEMBL2562667 0.81 ROCK1 (1.00) ROCK2ROCK1
SCHEMBL77629 0.78 ROCK1 (0.68) MAPK1ROCK2ROCK1KMT2AMEN1
SCHEMBL14065223 0.78 ROCK2 (0.45) MAPK1ROCK2ROCK1KMT2AMEN1
SCHEMBL2379641 0.77 ROCK2 (0.50) MAPK1ROCK2ROCK1KMT2AMEN1
SCHEMBL2380039 0.77 MAPK1 (0.55) MAPK1KMT2AMEN1ALDH1A1NPC1

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-8129415-B2 Fungicide hydroximoyl-tetrazole derivatives BAYER CROPSCIENCE AG (DE) 2012-03-06 US disclosed
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
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 2712/4885ROCK2 2794/4885ROCK1 2709/4885

“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.