SCHEMBL77629

SCHEMBL77629

COc1cccc(CNC(=O)Nc2nc(C(C)(C)C)cs2)c1

nearest known ligand 0.68

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 9/20 0.68
ROCK2 O75116 8/20 0.68
KMT2A Q03164 4/20 0.58
ALDH1A1 P00352 3/20 0.58
MEN1 O00255 3/20 0.58
LMNA P02545 1/20 0.58
GAA P10253 1/20 0.58
MAPT P10636 1/20 0.58
ALOX15 P16050 1/20 0.58
GFER P55789 1/20 0.58
HSD17B10 Q99714 1/20 0.58
ATG4B Q9Y4P1 1/20 0.55
MAPK1 P28482 2/20 0.54
RAB9A P51151 2/20 0.53
NPC1 O15118 1/20 0.52
POLB P06746 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
NAMPT P43490 1/20 0.51

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
SCHEMBL77442 0.84 KMT2A (0.68) ROCK1ROCK2KMT2AALDH1A1MEN1
SCHEMBL91529 0.84 ROCK1 (0.70) ROCK1ROCK2KMT2AALDH1A1MEN1
SCHEMBL13528022 0.83 KMT2A (0.50) ROCK1ROCK2KMT2AALDH1A1MEN1
SCHEMBL2558208 0.81 ROCK1 (1.00) ROCK1ROCK2
Hydrochloric Acid SCHEMBL2559843 0.81 ROCK1 (0.98) ROCK1ROCK2
SCHEMBL77074 0.78 MAPK1 (0.69) ROCK1ROCK2KMT2AALDH1A1MEN1
SCHEMBL77071 0.78 KMT2A (0.69) ROCK1ROCK2KMT2AALDH1A1MEN1
SCHEMBL2553941 0.78 ROCK1 (0.93) ROCK1ROCK2
SCHEMBL3815151 0.76 ALDH1A1 (0.72) ROCK2KMT2AALDH1A1MEN1LMNA
SCHEMBL77064 0.75 KMT2A (0.70) ROCK1ROCK2KMT2AALDH1A1MEN1

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 ROCK1 2709/4885ROCK2 2794/4885KMT2A 609/4885

“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.