SCHEMBL69505

SCHEMBL69505

CC(C)(C)C(=O)Nc1nc(CCl)cs1

nearest known ligand 0.69

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 8/20 0.69
KMT2A Q03164 1/20 0.69
TMIGD3 P0DMS9 1/20 0.55
ADORA1 P30542 1/20 0.55
LMNA P02545 3/20 0.49
KCNH2 Q12809 1/20 0.49
TYR P14679 1/20 0.49
MAPT P10636 3/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
NFKB1 P19838 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
ALDH1A1 P00352 5/20 0.44
HPGD P15428 3/20 0.44
PI4KB Q9UBF8 3/20 0.43
TDP1 Q9NUW8 1/20 0.42
GFER P55789 1/20 0.41
AOC3 Q16853 1/20 0.41

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
SCHEMBL10084283 0.86 SMN1; SMN2 (0.68) SMN1; SMN2KMT2ATMIGD3ADORA1LMNA
SCHEMBL307301 0.82 SMN1; SMN2 (1.00) SMN1; SMN2KMT2ALMNAMAPTNPC1
SCHEMBL9836233 0.82 SMN1; SMN2 (0.66) SMN1; SMN2KMT2AMAPTNPC1RAB9A
SCHEMBL356279 0.81 SMN1; SMN2 (0.64) SMN1; SMN2KMT2ALMNAKCNH2NPC1
SCHEMBL353851 0.80 SMN1; SMN2 (0.73) SMN1; SMN2KMT2ALMNAMAPTNPC1
SCHEMBL9835719 0.79 SMN1; SMN2 (0.71) SMN1; SMN2KMT2ALMNAMAPTNPC1
SCHEMBL9677782 0.79 SMN1; SMN2 (0.71) SMN1; SMN2KMT2ALMNAMAPTNPC1
SCHEMBL5659620 0.77 KMT2A (0.59) SMN1; SMN2KMT2ATYRMAPTNPC1
SCHEMBL9835391 0.77 SMN1; SMN2 (0.68) SMN1; SMN2KMT2ALMNAMAPTNPC1
SCHEMBL12597068 0.77 TMIGD3 (0.60) SMN1; SMN2TMIGD3ADORA1TYRMAPT

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2044052-B1 FUNGICIDE HYDROXIMOYL-TETRAZOLE DERIVATIVES BAYER IP GMBH (DE) 2013-06-05 EP disclosed
EP-2044052-B1 FUNGICIDE HYDROXIMOYL-TETRAZOLE DERIVATIVES BAYER IP GMBH (DE) 2013-06-05 EP disclosed
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-8129415-B2 Fungicide hydroximoyl-tetrazole derivatives BAYER CROPSCIENCE AG (DE) 2012-03-06 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
US-20090192196-A1 Fungicide hydroximoyl-tetrazole derivatives BAYER CROPSCIENCE AG (DE) 2009-07-30 US disclosed
EP-2044052-A1 FUNGICIDE HYDROXIMOYL-TETRAZOLE DERIVATIVES Bayer CropScience SA (FR) 2009-04-08 EP disclosed
WO-2008006874-A1 FUNGICIDE HYDROXIMOYL-TETRAZOLE DERIVATIVES BAYER CROPSCIENCE SA (FR) 2008-01-17 WO disclosed
EP-0224919-B1 NEW THIAZOLE COMPOUNDS, PROCESSES FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1991-08-14 EP disclosed
US-4742057-A Antiallergic thiazole compounds FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1988-05-03 US disclosed
EP-0224919-A2 New thiazole compounds, processes for the preparation thereof and pharmaceutical composition comprising the same FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1987-06-10 EP 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-20090192196-A1 Fungicide hydroximoyl-tetrazole derivatives HAAO, HAO1, CYP51A1 SMN1; SMN2 4339/4885KMT2A 609/4885TMIGD3 3933/4885

“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.