SCHEMBL91861

SCHEMBL91861

CCCCCOC(=O)Nc1nc(CC)cs1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.70
MAPK1 P28482 1/20 0.70
L3MBTL1 Q9Y468 1/20 0.54
RAB9A P51151 3/20 0.52
ALDH1A1 P00352 2/20 0.52
SMN1; SMN2 Q16637 4/20 0.49
NPC1 O15118 2/20 0.49
PDE5A O76074 1/20 0.49
CYP1A2 P05177 1/20 0.49
NFKB1 P19838 1/20 0.49
CYP2C19 P33261 1/20 0.49
STAT1 P42224 1/20 0.49
NFKB2 Q00653 1/20 0.49
RELA Q04206 1/20 0.49
CSNK2A2 P19784 3/20 0.48
CSNK2A1 P68400 3/20 0.48
GAA P10253 1/20 0.47
LMNA P02545 1/20 0.45
POLB P06746 1/20 0.44
KMT2A Q03164 1/20 0.43

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
SCHEMBL91407 0.99 TSHR (0.68) TSHRMAPK1L3MBTL1RAB9AALDH1A1
SCHEMBL91587 0.90 MAPK1 (0.63) TSHRMAPK1L3MBTL1RAB9AALDH1A1
SCHEMBL4680215 0.90 TSHR (0.67) TSHRMAPK1L3MBTL1RAB9AALDH1A1
SCHEMBL10081941 0.85 MAPK1 (0.57) TSHRMAPK1L3MBTL1RAB9AALDH1A1
SCHEMBL77077 0.82 MAPK1 (0.57) TSHRMAPK1L3MBTL1RAB9AALDH1A1
SCHEMBL77674 0.81 MAPK1 (0.56) TSHRMAPK1L3MBTL1RAB9AALDH1A1
SCHEMBL10084297 0.80 TSHR (0.52) TSHRMAPK1RAB9AALDH1A1SMN1; SMN2
SCHEMBL91408 0.79 PDE5A (0.74) TSHRMAPK1RAB9AALDH1A1SMN1; SMN2
SCHEMBL10085276 0.78 MAPK1 (0.50) TSHRMAPK1RAB9AALDH1A1SMN1; SMN2
SCHEMBL93110 0.78 PDE5A (0.76) TSHRMAPK1RAB9AALDH1A1SMN1; 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 TSHR 1440/4885MAPK1 2712/4885L3MBTL1 428/4885
US-20090291969-A1 Fungicide hydroximoyl-tetrazole derivatives HAAO, HAO1, CYP51A1 TSHR 1467/4885MAPK1 2690/4885L3MBTL1 481/4885

“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.