SCHEMBL91507

SCHEMBL91507

CCc1csc(NC(=O)NCc2ccccc2OC)n1

nearest known ligand 0.69

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 3/20 0.69
ROCK1 Q13464 3/20 0.69
HPGD P15428 3/20 0.58
GAA P10253 2/20 0.58
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
ALDH1A1 P00352 1/20 0.58
ALOX15 P16050 1/20 0.58
HSD17B10 Q99714 1/20 0.58
TDP1 Q9NUW8 1/20 0.58
MAPT P10636 1/20 0.51
HTT P42858 1/20 0.51
RXFP1 Q9HBX9 1/20 0.51
CYP2D6 P10635 1/20 0.50
ANO1 Q5XXA6 1/20 0.50

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
SCHEMBL77074 0.83 MAPK1 (0.69) ROCK2ROCK1HPGDGAAMEN1
SCHEMBL2562667 0.81 ROCK1 (1.00) ROCK2ROCK1
SCHEMBL91397 0.81 ROCK2 (0.62) ROCK2ROCK1MEN1KMT2A
SCHEMBL91529 0.78 ROCK1 (0.70) ROCK2ROCK1GAAMEN1KMT2A
SCHEMBL2380162 0.74 RXFP1 (0.55) ROCK2ROCK1GAAMEN1KMT2A
SCHEMBL10084544 0.74 LMNA (0.71) ROCK1MEN1KMT2AALDH1A1MAPT
SCHEMBL91393 0.74 ROCK2 (0.64) ROCK2ROCK1MEN1KMT2AMAPT
SCHEMBL2378961 0.74 GAA (0.46) ROCK2ROCK1GAAMEN1KMT2A
SCHEMBL91525 0.73 LMNA (0.70) ROCK2ROCK1GAAMEN1KMT2A
SCHEMBL91611 0.73 FPR2 (0.55) ROCK2ROCK1KMT2AMAPTRXFP1

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 ROCK2 2794/4885ROCK1 2709/4885HPGD 1636/4885

“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.