SCHEMBL77371

SCHEMBL77371

CCCCCC(=O)Nc1nc(C(C)(C)C)cs1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.63
MEN1 O00255 5/20 0.63
PDE5A O76074 1/20 0.60
ALDH1A1 P00352 5/20 0.57
SMN1; SMN2 Q16637 3/20 0.57
HPGD P15428 2/20 0.57
LMNA P02545 5/20 0.56
POLB P06746 3/20 0.56
MAPT P10636 2/20 0.56
RECQL P46063 1/20 0.56
ATAD2 Q6PL18 1/20 0.52
NPC1 O15118 5/20 0.51
RAB9A P51151 5/20 0.51
MAPK1 P28482 2/20 0.51
TAS1R3 Q7RTX0 1/20 0.51
TAS1R1 Q7RTX1 1/20 0.51
TAS1R2 Q8TE23 1/20 0.51
NPSR1 Q6W5P4 3/20 0.50
HSD17B10 Q99714 3/20 0.50
ALOX15 P16050 1/20 0.50

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
SCHEMBL78204 0.99 KMT2A (0.62) KMT2AMEN1PDE5AALDH1A1SMN1; SMN2
SCHEMBL77089 0.90 KMT2A (0.67) KMT2AMEN1ALDH1A1SMN1; SMN2HPGD
SCHEMBL10085270 0.89 PDE5A (0.57) KMT2AMEN1PDE5AALDH1A1SMN1; SMN2
SCHEMBL13681846 0.88 MEN1 (0.54) KMT2AMEN1PDE5AALDH1A1SMN1; SMN2
SCHEMBL10078876 0.86 KMT2A (0.63) KMT2AMEN1ALDH1A1SMN1; SMN2HPGD
SCHEMBL77628 0.84 ALDH1A1 (0.64) KMT2AMEN1ALDH1A1SMN1; SMN2HPGD
SCHEMBL8271089 0.81 KMT2A (0.55) KMT2AMEN1ALDH1A1SMN1; SMN2HPGD
SCHEMBL77076 0.81 NPC1 (0.55) KMT2AMEN1ALDH1A1SMN1; SMN2HPGD
SCHEMBL77486 0.81 KMT2A (0.86) KMT2AMEN1PDE5AALDH1A1SMN1; SMN2
SCHEMBL77670 0.81 KMT2A (0.63) KMT2AMEN1ALDH1A1SMN1; SMN2HPGD

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 10 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-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-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
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 930/4885PDE5A 2389/4885
US-20090258875-A1 Fungicide Hydroximoyl-Tetrazole Derivatives HAAO, CYP51A1, CYP8B1 KMT2A 519/4885MEN1 741/4885PDE5A 2244/4885
US-20090291969-A1 Fungicide hydroximoyl-tetrazole derivatives HAAO, HAO1, CYP51A1 KMT2A 663/4885MEN1 938/4885PDE5A 2041/4885

“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.