SCHEMBL77566

SCHEMBL77566

COCCOCC(=O)Nc1nc(C(C)(C)C)cs1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.57
ALDH1A1 P00352 4/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
HPGD P15428 2/20 0.54
MEN1 O00255 5/20 0.53
LMNA P02545 5/20 0.53
MAPT P10636 2/20 0.53
POLB P06746 2/20 0.53
RECQL P46063 1/20 0.53
ATAD2 Q6PL18 1/20 0.52
TAS1R3 Q7RTX0 1/20 0.51
TAS1R1 Q7RTX1 1/20 0.51
TAS1R2 Q8TE23 1/20 0.51
NPC1 O15118 7/20 0.50
RAB9A P51151 7/20 0.50
NPSR1 Q6W5P4 3/20 0.50
MAPK1 P28482 3/20 0.50
HSD17B10 Q99714 2/20 0.50
ALOX15 P16050 1/20 0.50
TSHR P16473 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
SCHEMBL77670 0.85 KMT2A (0.63) KMT2AALDH1A1SMN1; SMN2HPGDMEN1
SCHEMBL78859 0.82 SMN1; SMN2 (0.53) KMT2AALDH1A1SMN1; SMN2HPGDMEN1
SCHEMBL10084863 0.81 TP53 (0.47) KMT2AALDH1A1SMN1; SMN2MEN1MAPT
SCHEMBL10078950 0.79 KMT2A (0.69) KMT2AALDH1A1SMN1; SMN2HPGDMEN1
SCHEMBL77628 0.78 ALDH1A1 (0.64) KMT2AALDH1A1SMN1; SMN2HPGDMEN1
SCHEMBL77191 0.76 ALDH1A1 (0.63) KMT2AALDH1A1SMN1; SMN2HPGDMEN1
SCHEMBL77089 0.75 KMT2A (0.67) KMT2AALDH1A1SMN1; SMN2HPGDMEN1
SCHEMBL77461 0.75 ATAD2 (0.52) KMT2AALDH1A1SMN1; SMN2HPGDMEN1
SCHEMBL10078880 0.74 NPC1 (0.47) KMT2ASMN1; SMN2LMNAMAPTNPC1
SCHEMBL77898 0.74 ALDH1A1 (0.60) KMT2AALDH1A1SMN1; SMN2HPGDMEN1

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-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-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 609/4885ALDH1A1 1530/4885SMN1; SMN2 4339/4885
US-20090291969-A1 Fungicide hydroximoyl-tetrazole derivatives HAAO, HAO1, CYP51A1 KMT2A 663/4885ALDH1A1 1541/4885SMN1; SMN2 4328/4885

“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.