SCHEMBL1046579

SCHEMBL1046579

Cn1cncc1C(=O)c1cccs1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 1/20 0.46
CES2 O00748 1/20 0.44
CES1 P23141 1/20 0.44
USP2 O75604 1/20 0.43
DAO P14920 1/20 0.43
LMNA P02545 4/20 0.42
HPGD P15428 3/20 0.42
HTT P42858 1/20 0.42
ALOX15 P16050 1/20 0.42
ALOX5 P09917 1/20 0.42
PTGS1 P23219 1/20 0.42
PTGS2 P35354 1/20 0.42
NPC1 O15118 4/20 0.41
RAB9A P51151 4/20 0.41
ALDH1A1 P00352 4/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
ADORA2A P29274 2/20 0.41
ADORA1 P30542 2/20 0.41
KDM4E B2RXH2 1/20 0.41
HCRTR1 O43613 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
SCHEMBL1047435 0.80 ALDH1A1 (0.38) CES2CES1USP2LMNAHPGD
SCHEMBL1047437 0.80 ALDH1A1 (0.38) CES2CES1USP2LMNAHPGD
SCHEMBL6010185 0.78 IDO1 (0.41) USP2LMNAALOX15ALDH1A1KDM4E
SCHEMBL15648051 0.77 PIK3CD (0.37) ALDH1A1ADORA2ARBP4KMT2A
SCHEMBL15646669 0.75 MAPT (0.49) LMNAHTTNPC1ALDH1A1KDM4E
SCHEMBL1045351 0.75 MEN1 (0.46) HPGDSLMNAHTTALOX15ALDH1A1
SCHEMBL5216245 0.75 NPC1 (0.50) HPGDSCES2CES1DAOLMNA
SCHEMBL6182738 0.74 GAA (0.43) HTTALDH1A1RBP4KMT2ATP53
SCHEMBL1047472 0.73 CES2 (0.43) CES2CES1DAOHPGDNPC1
SCHEMBL5894851 0.72 HTT (0.51) HPGDSCES2CES1USP2DAO

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 HPGDS 2507/4885CES2 964/4885CES1 2237/4885

“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.