SCHEMBL91397

SCHEMBL91397

CCc1csc(NC(=O)NCc2ccccc2)n1

nearest known ligand 0.62

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 12/20 0.62
ROCK1 Q13464 12/20 0.62
MMP3 P08254 1/20 0.53
LMNA P02545 1/20 0.51
TP53 P04637 1/20 0.51
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
POLB P06746 1/20 0.49

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
SCHEMBL3653731 0.88 ROCK2 (0.61) ROCK2ROCK1MMP3
SCHEMBL91393 0.87 ROCK2 (0.64) ROCK2ROCK1MMP3LMNATP53
SCHEMBL5879508 0.87 ROCK2 (0.62) ROCK2ROCK1MMP3
SCHEMBL7454854 0.87 ROCK2 (0.62) ROCK2ROCK1LMNATP53
SCHEMBL10237515 0.86 ROCK1 (0.67) ROCK2ROCK1
SCHEMBL3653730 0.85 ROCK2 (0.60) ROCK2ROCK1MMP3LMNATP53
SCHEMBL10082522 0.84 SMN1; SMN2 (0.53) MEN1KMT2APOLB
SCHEMBL91529 0.84 ROCK1 (0.70) ROCK2ROCK1LMNAMEN1KMT2A
SCHEMBL3653728 0.84 ROCK2 (0.59) ROCK2ROCK1MMP3
SCHEMBL7144846 0.83 ROCK2 (0.58) ROCK2ROCK1MMP3

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-8119645-B2 Fungicide hydroximoyl-tetrazole derivatives BAYER CROPSCIENCE AG (DE) 2012-02-21 US disclosed
US-20090291969-A1 Fungicide hydroximoyl-tetrazole derivatives BAYER CROPSCIENCE AG (DE) 2009-11-26 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 (2 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 2709/4885MMP3 2366/4885
US-20090291969-A1 Fungicide hydroximoyl-tetrazole derivatives HAAO, HAO1, CYP51A1 ROCK2 2884/4885ROCK1 2738/4885MMP3 2442/4885

“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.