SCHEMBL10078875

SCHEMBL10078875

C=CCC(=O)Nc1nc(C(C)(C)C)cs1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.59
SMN1; SMN2 Q16637 3/20 0.59
HPGD P15428 3/20 0.59
KMT2A Q03164 6/20 0.57
LMNA P02545 5/20 0.57
MEN1 O00255 4/20 0.57
POLB P06746 3/20 0.57
MAPT P10636 2/20 0.57
RECQL P46063 1/20 0.57
ATAD2 Q6PL18 1/20 0.53
NPC1 O15118 7/20 0.52
RAB9A P51151 7/20 0.52
MAPK1 P28482 2/20 0.52
TAS1R3 Q7RTX0 1/20 0.52
TAS1R1 Q7RTX1 1/20 0.52
TAS1R2 Q8TE23 1/20 0.52
HSD17B10 Q99714 4/20 0.51
NPSR1 Q6W5P4 3/20 0.51
ALOX15 P16050 2/20 0.51
TSHR P16473 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
SCHEMBL77628 0.82 ALDH1A1 (0.64) ALDH1A1SMN1; SMN2HPGDKMT2ALMNA
SCHEMBL77191 0.81 ALDH1A1 (0.63) ALDH1A1SMN1; SMN2HPGDKMT2ALMNA
SCHEMBL10078902 0.81 NPC1 (0.60) ALDH1A1SMN1; SMN2HPGDKMT2ALMNA
SCHEMBL10078987 0.80 ATAD2 (0.50) ALDH1A1SMN1; SMN2HPGDKMT2ALMNA
SCHEMBL77089 0.79 KMT2A (0.67) ALDH1A1SMN1; SMN2HPGDKMT2ALMNA
SCHEMBL6475970 0.79 ATAD2 (0.61) ALDH1A1SMN1; SMN2HPGDKMT2ALMNA
SCHEMBL77898 0.78 ALDH1A1 (0.60) ALDH1A1SMN1; SMN2HPGDKMT2ALMNA
SCHEMBL10084294 0.78 KMT2A (0.47) ALDH1A1SMN1; SMN2HPGDKMT2AMEN1
SCHEMBL20788543 0.78 NPC1 (0.77) ALDH1A1SMN1; SMN2HPGDKMT2ALMNA
SCHEMBL21484891 0.77 ALDH1A1 (0.59) ALDH1A1SMN1; SMN2HPGDKMT2ALMNA

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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20090291969-A1 Fungicide hydroximoyl-tetrazole derivatives HAAO, HAO1, CYP51A1 ALDH1A1 1541/4885SMN1; SMN2 4328/4885HPGD 1635/4885

“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.