SCHEMBL14769656

SCHEMBL14769656

COC(=O)C(Oc1ccc2ncc(C)cc2c1)SC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.44
HPGD P15428 3/20 0.44
F2 P00734 1/20 0.44
GLA P06280 1/20 0.44
CYP1A2 P05177 1/20 0.38
MET P08581 4/20 0.37
HPGDS O60760 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
KDM4E B2RXH2 4/20 0.36
POLB P06746 2/20 0.36
PDGFRB P09619 1/20 0.36
PDGFRA P16234 1/20 0.36
HSD17B10 Q99714 1/20 0.36
PDE10A Q9Y233 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
LMNA P02545 1/20 0.35
PRNP P04156 1/20 0.35
NPC1 O15118 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL14773121 0.89 ALDH1A1 (0.54) ALDH1A1HPGDF2GLAHPGDS
SCHEMBL14769652 0.88 ALDH1A1 (0.44) ALDH1A1HPGDF2GLACYP1A2
SCHEMBL534434 0.86 ALDH1A1 (0.43) ALDH1A1HPGDF2GLAMET
SCHEMBL12818530 0.83 MET (0.41) ALDH1A1HPGDF2GLAMET
SCHEMBL12181901 0.83 ALDH1A1 (0.41) ALDH1A1HPGDF2GLAMET
SCHEMBL12817605 0.83 ALDH1A1 (0.41) ALDH1A1HPGDF2GLAMET
SCHEMBL13077864 0.83 HPGDS (0.39) ALDH1A1HPGDF2GLACYP1A2
SCHEMBL534450 0.83 ALDH1A1 (0.39) ALDH1A1HPGDF2GLAMET
SCHEMBL534721 0.82 HPGD (0.39) ALDH1A1HPGDF2GLAMET
SCHEMBL14869197 0.81 CCR1 (0.33) KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130065922-A1 NOVEL AMIDES AS FUNGICIDES SYNGENTA CROP PROTECTION LLC (US) 2013-03-14 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 (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-20130065922-A1 NOVEL AMIDES AS FUNGICIDES CYP51A1, DDT, CYP4X1 ALDH1A1 264/4885HPGD 4473/4885F2 4443/4885

“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.