SCHEMBL1047472

SCHEMBL1047472

Cn1cncc1C(=O)c1ccsc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.43
CES1 P23141 1/20 0.43
LCK P06239 1/20 0.42
FYN P06241 1/20 0.42
DAO P14920 1/20 0.42
HDAC1 Q13547 1/20 0.39
HPGD P15428 1/20 0.34
IDO1 P14902 1/20 0.34
ADORA2A P29274 2/20 0.34
ADORA1 P30542 1/20 0.34
TBXAS1 P24557 2/20 0.34
ELANE P08246 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
PLAU P00749 1/20 0.33
RBP4 P02753 1/20 0.33
HSP90AA1 P07900 1/20 0.33
CHEK2 O96017 1/20 0.33
CCKAR P32238 1/20 0.32
CCKBR P32239 1/20 0.32

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
SCHEMBL1046990 0.80 CES2 (0.34) CES2CES1LCKFYNDAO
SCHEMBL1046991 0.80 CES2 (0.34) CES2CES1LCKFYNDAO
SCHEMBL6010185 0.77 IDO1 (0.41) IDO1RBP4MEN1KMT2A
SCHEMBL15646669 0.77 MAPT (0.49) IDO1NPC1MEN1KMT2A
SCHEMBL1045351 0.77 MEN1 (0.46) IDO1RBP4MEN1KMT2A
SCHEMBL13461742 0.76 HTT (0.47) HPGDIDO1ELANENPC1RAB9A
SCHEMBL15202096 0.76 ALDH1A1 (0.50) CES2CES1HDAC1HPGDNPC1
SCHEMBL15647920 0.75 HCAR2 (0.42) IDO1RBP4
SCHEMBL3369458 0.74 HTT (0.55) HPGDIDO1NPC1RAB9A
SCHEMBL15648234 0.74 CYP19A1 (0.42) HPGDIDO1NPC1RAB9A

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-8981111-B2 Fungicide hydroximoyl-heterocycles derivatives BAYER CROPSCIENCE AG (DE) 2015-03-17 US disclosed
US-20110034445-A1 FUNGICIDE HYDROXIMOYL-HETEROCYCLES DERIVATIVES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2011-02-10 US disclosed
EP-2271641-A1 FUNGICIDE HYDROXIMOYL-HETEROCYCLES DERIVATIVES Bayer CropScience AG (DE) 2011-01-12 EP disclosed
WO-2009130193-A1 FUNGICIDE HYDROXIMOYL-HETEROCYCLES DERIVATIVES BAYER CROPSCIENCE SA (FR) 2009-10-29 WO 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-20110034445-A1 FUNGICIDE HYDROXIMOYL-HETEROCYCLES DERIVATIVES HAAO, HPD, CYP51A1 CES2 964/4885CES1 2237/4885LCK 2500/4885

“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.