SCHEMBL77834

SCHEMBL77834

CC(C)(C)c1csc(NC(=O)Cc2ccccc2)n1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.77
MEN1 O00255 5/20 0.77
LMNA P02545 5/20 0.69
POLB P06746 3/20 0.69
MAPT P10636 1/20 0.69
RECQL P46063 1/20 0.69
ALDH1A1 P00352 5/20 0.64
NPC1 O15118 3/20 0.64
RAB9A P51151 3/20 0.64
SMN1; SMN2 Q16637 2/20 0.64
MAPK1 P28482 2/20 0.64
ELOVL1 Q9BW60 1/20 0.64
HPGD P15428 3/20 0.63
PRKACA P17612 1/20 0.60
ROCK1 Q13464 1/20 0.60
TP53 P04637 1/20 0.58
HDAC8 Q9BY41 1/20 0.56
TSHR P16473 3/20 0.55
HSD17B10 Q99714 2/20 0.55
ALOX15 P16050 1/20 0.55

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
SCHEMBL78102 0.89 KMT2A (0.77) KMT2AMEN1LMNAPOLBMAPT
SCHEMBL10082479 0.88 ELOVL1 (0.63) KMT2AMEN1LMNAPOLBMAPT
SCHEMBL10078878 0.87 KMT2A (1.00) KMT2AMEN1LMNAPOLBMAPT
SCHEMBL77486 0.85 KMT2A (0.86) KMT2AMEN1LMNAPOLBMAPT
SCHEMBL10078950 0.84 KMT2A (0.69) KMT2AMEN1LMNAPOLBMAPT
SCHEMBL28268613 0.82 RAB9A (0.75) KMT2AMEN1LMNAPOLBALDH1A1
SCHEMBL77442 0.82 KMT2A (0.68) KMT2AMEN1LMNAPOLBMAPT
SCHEMBL10068184 0.81 ALDH1A1 (0.64) KMT2AMEN1LMNAMAPTALDH1A1
SCHEMBL10078938 0.81 KMT2A (0.65) KMT2AMEN1LMNAPOLBMAPT
SCHEMBL77628 0.80 ALDH1A1 (0.64) KMT2AMEN1LMNAPOLBMAPT

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-8119645-B2 Fungicide hydroximoyl-tetrazole derivatives BAYER CROPSCIENCE AG (DE) 2012-02-21 US disclosed
US-8119646-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-20090258875-A1 Fungicide Hydroximoyl-Tetrazole Derivatives BAYER CROPSCIENCE AG (DE) 2009-10-15 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 (3 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 930/4885LMNA 2321/4885
US-20090258875-A1 Fungicide Hydroximoyl-Tetrazole Derivatives HAAO, CYP51A1, CYP8B1 KMT2A 519/4885MEN1 741/4885LMNA 2010/4885
US-20090291969-A1 Fungicide hydroximoyl-tetrazole derivatives HAAO, HAO1, CYP51A1 KMT2A 663/4885MEN1 938/4885LMNA 2277/4885

“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.