SCHEMBL77071

SCHEMBL77071

COc1ccc(CCNC(=O)Nc2nc(C(C)(C)C)cs2)cc1

nearest known ligand 0.69

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.69
FPR2 P25090 4/20 0.54
MAPK1 P28482 3/20 0.54
MEN1 O00255 2/20 0.53
ROCK2 O75116 3/20 0.53
ROCK1 Q13464 3/20 0.53
CNR1 P21554 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.51
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
ALDH1A1 P00352 1/20 0.51
POLB P06746 1/20 0.51
TRPV1 Q8NER1 1/20 0.48
MAPT P10636 1/20 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
SCHEMBL77444 0.86 KMT2A (0.55) KMT2AFPR2MAPK1MEN1ROCK2
SCHEMBL77064 0.86 KMT2A (0.70) KMT2AMAPK1MEN1ROCK2ROCK1
SCHEMBL91611 0.83 FPR2 (0.55) KMT2AFPR2MAPK1ROCK2ROCK1
SCHEMBL77328 0.81 NPC1 (0.50) KMT2AMAPK1MEN1ROCK2ROCK1
SCHEMBL2559922 0.81 ROCK1 (0.80) KMT2AMAPK1MEN1ROCK2ROCK1
SCHEMBL29311910 0.79 KMT2A (0.53) KMT2AMAPK1MEN1ROCK2ROCK1
SCHEMBL10068143 0.79 FPR2 (0.58) KMT2AFPR2MAPK1MEN1ROCK2
SCHEMBL77635 0.78 KMT2A (0.70) KMT2AMAPK1MEN1SMN1; SMN2NPC1
SCHEMBL77468 0.78 CNR1 (0.55) KMT2AMAPK1MEN1ROCK2ROCK1
SCHEMBL77629 0.78 ROCK1 (0.68) KMT2AMAPK1MEN1ROCK2ROCK1

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 KMT2A 609/4885FPR2 3656/4885MAPK1 2712/4885

“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.