SCHEMBL91379

SCHEMBL91379

CCc1csc(NC(=O)C2CC2)n1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.56
KMT2A Q03164 6/20 0.54
MEN1 O00255 5/20 0.54
NPC1 O15118 4/20 0.54
LMNA P02545 2/20 0.54
HTT P42858 1/20 0.54
ATAD2 Q6PL18 1/20 0.54
SMN1; SMN2 Q16637 5/20 0.53
ALDH1A1 P00352 2/20 0.48
TDP1 Q9NUW8 1/20 0.48
KDM4E B2RXH2 2/20 0.48
ABL1 P00519 1/20 0.48
TP53 P04637 1/20 0.47
POLB P06746 1/20 0.47
NFKB1 P19838 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
HSD17B10 Q99714 1/20 0.47
TYK2 P29597 1/20 0.47

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
SCHEMBL10082036 0.94 RAB9A (0.65) RAB9AKMT2AMEN1NPC1LMNA
SCHEMBL10084276 0.93 RAB9A (0.68) RAB9AKMT2AMEN1NPC1LMNA
SCHEMBL9836535 0.84 KMT2A (0.65) RAB9AKMT2AMEN1NPC1LMNA
SCHEMBL13222358 0.84 MEN1 (0.44) RAB9AKMT2AMEN1NPC1LMNA
SCHEMBL91563 0.81 LMNA (0.50) RAB9AKMT2AMEN1NPC1LMNA
SCHEMBL2612387 0.80 SMN1; SMN2 (0.73) RAB9AKMT2ANPC1LMNAHTT
SCHEMBL3576354 0.79 RAB9A (0.85) RAB9ANPC1ATAD2SMN1; SMN2ALDH1A1
SCHEMBL10085254 0.79 LMNA (0.57) RAB9AKMT2AMEN1NPC1LMNA
SCHEMBL10084519 0.77 LMNA (0.59) RAB9AKMT2AMEN1NPC1LMNA
SCHEMBL10084283 0.76 SMN1; SMN2 (0.68) RAB9AKMT2AMEN1NPC1LMNA

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 RAB9A 3465/4885KMT2A 609/4885MEN1 930/4885
US-20090258875-A1 Fungicide Hydroximoyl-Tetrazole Derivatives HAAO, CYP51A1, CYP8B1 RAB9A 3267/4885KMT2A 519/4885MEN1 741/4885
US-20090291969-A1 Fungicide hydroximoyl-tetrazole derivatives HAAO, HAO1, CYP51A1 RAB9A 3411/4885KMT2A 663/4885MEN1 938/4885

“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.