SCHEMBL77064

SCHEMBL77064

CC(C)(C)c1csc(NC(=O)NCCc2ccccc2)n1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.70
MEN1 O00255 4/20 0.70
NPC1 O15118 5/20 0.65
RAB9A P51151 5/20 0.65
MAPK1 P28482 3/20 0.65
ALDH1A1 P00352 2/20 0.65
POLB P06746 2/20 0.65
SMN1; SMN2 Q16637 2/20 0.65
ROCK2 O75116 3/20 0.63
ROCK1 Q13464 3/20 0.63
MAPK13 O15264 1/20 0.55
MAPK12 P53778 1/20 0.55
MAPK11 Q15759 1/20 0.55
MAPK14 Q16539 1/20 0.55
MAPT P10636 2/20 0.52
LMNA P02545 2/20 0.51
HPGD P15428 1/20 0.51
ALOX15 P16050 1/20 0.51
TSHR P16473 1/20 0.51
NPSR1 Q6W5P4 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
SCHEMBL77444 0.88 KMT2A (0.55) KMT2AMEN1NPC1RAB9AMAPK1
SCHEMBL77442 0.88 KMT2A (0.68) KMT2AMEN1NPC1RAB9AMAPK1
SCHEMBL77468 0.87 CNR1 (0.55) KMT2AMEN1NPC1RAB9AMAPK1
SCHEMBL77071 0.86 KMT2A (0.69) KMT2AMEN1NPC1RAB9AMAPK1
SCHEMBL8891430 0.85 KMT2A (0.63) KMT2AMEN1NPC1RAB9AMAPK1
SCHEMBL77328 0.83 NPC1 (0.50) KMT2AMEN1NPC1RAB9AMAPK1
SCHEMBL10078878 0.82 KMT2A (1.00) KMT2AMEN1NPC1RAB9AMAPK1
SCHEMBL77627 0.82 NPC1 (0.59) KMT2AMEN1NPC1RAB9AMAPK1
SCHEMBL91393 0.81 ROCK2 (0.64) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL77486 0.81 KMT2A (0.86) KMT2AMEN1NPC1RAB9AMAPK1

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 6 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-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
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 KMT2A 609/4885MEN1 930/4885NPC1 3856/4885
US-20090291969-A1 Fungicide hydroximoyl-tetrazole derivatives HAAO, HAO1, CYP51A1 KMT2A 663/4885MEN1 938/4885NPC1 3836/4885

“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.