SCHEMBL78204

SCHEMBL78204

CCCCCCCCC(=O)Nc1nc(C(C)(C)C)cs1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.62
MEN1 O00255 4/20 0.62
PDE5A O76074 1/20 0.62
ALDH1A1 P00352 5/20 0.56
SMN1; SMN2 Q16637 3/20 0.56
HPGD P15428 2/20 0.56
LMNA P02545 5/20 0.55
POLB P06746 3/20 0.55
MAPT P10636 2/20 0.55
RECQL P46063 1/20 0.55
ATAD2 Q6PL18 1/20 0.51
NPC1 O15118 5/20 0.50
RAB9A P51151 5/20 0.50
MAPK1 P28482 2/20 0.50
TAS1R3 Q7RTX0 1/20 0.50
TAS1R1 Q7RTX1 1/20 0.50
TAS1R2 Q8TE23 1/20 0.50
HDAC1 Q13547 1/20 0.49
HDAC9 Q9UKV0 1/20 0.49
NPSR1 Q6W5P4 3/20 0.49

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
SCHEMBL77371 0.99 KMT2A (0.63) KMT2AMEN1PDE5AALDH1A1SMN1; SMN2
SCHEMBL77089 0.89 KMT2A (0.67) KMT2AMEN1ALDH1A1SMN1; SMN2HPGD
SCHEMBL10085270 0.88 PDE5A (0.57) KMT2AMEN1PDE5AALDH1A1SMN1; SMN2
SCHEMBL13681846 0.87 MEN1 (0.54) KMT2AMEN1PDE5AALDH1A1SMN1; SMN2
SCHEMBL10078876 0.85 KMT2A (0.63) KMT2AMEN1ALDH1A1SMN1; SMN2HPGD
SCHEMBL8271089 0.83 KMT2A (0.55) KMT2AMEN1ALDH1A1SMN1; SMN2HPGD
SCHEMBL77628 0.83 ALDH1A1 (0.64) KMT2AMEN1ALDH1A1SMN1; SMN2HPGD
SCHEMBL10078883 0.82 NPC1 (0.54) KMT2AMEN1ALDH1A1SMN1; SMN2HPGD
SCHEMBL4137597 0.82 NPC1 (0.54) KMT2AMEN1ALDH1A1SMN1; SMN2HPGD
SCHEMBL93110 0.81 PDE5A (0.76) KMT2AMEN1PDE5AALDH1A1SMN1; SMN2

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 4 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-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

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 930/4885PDE5A 2389/4885
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.