SCHEMBL6836971

SCHEMBL6836971

FC(F)(F)c1ccncc1-c1nc(CC2OCCCO2)no1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PLAT P00750 1/20 0.37
S1PR1 P21453 4/20 0.35
S1PR3 Q99500 2/20 0.34
CYP11B2 P19099 2/20 0.34
CYP11B1 P15538 1/20 0.34
HCRTR1 O43613 5/20 0.33
HCRTR2 O43614 5/20 0.33
ABL1 P00519 3/20 0.33
AKR1B1 P15121 1/20 0.33
DHODH Q02127 1/20 0.33
GAA P10253 1/20 0.32
LRRK2 Q5S007 1/20 0.32
KDM4C Q9H3R0 1/20 0.31
SCD O00767 1/20 0.31
SCD5 Q86SK9 1/20 0.31

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
SCHEMBL6837379 0.98 PLAT (0.37) PLATS1PR1S1PR3CYP11B2CYP11B1
SCHEMBL7092155 0.80 NOTUM (0.44) PLATS1PR1S1PR3CYP11B2CYP11B1
SCHEMBL6775894 0.78 S1PR1 (0.40) PLATS1PR1S1PR3CYP11B2CYP11B1
SCHEMBL6784873 0.78 S1PR1 (0.40) PLATS1PR1S1PR3CYP11B2CYP11B1
SCHEMBL6782045 0.77 AKR1B1 (0.48) PLATS1PR1S1PR3CYP11B2ABL1
SCHEMBL14606351 0.75 S1PR1 (0.40) PLATS1PR1S1PR3CYP11B2CYP11B1
SCHEMBL6775708 0.74 S1PR1 (0.35) PLATS1PR1S1PR3CYP11B2CYP11B1
SCHEMBL6786662 0.73 HDAC4 (0.44) PLATS1PR1S1PR3ABL1AKR1B1
SCHEMBL6781208 0.73 S1PR1 (0.39) PLATS1PR1S1PR3AKR1B1DHODH
SCHEMBL6776796 0.72 AKR1B1 (0.38) PLATS1PR1S1PR3CYP11B2CYP11B1

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-20040010145-A1 Heterocyclylalkylazole derivatives and their use as pesticides SCHAPER WOLFGANG (DE) 2004-01-15 US disclosed
EP-1309588-A1 HETEROCYCLYLALKYL AZOLE DERIVATIVES AND USE THEREOF AS PESTICIDAL AGENTS Bayer CropScience GmbH (DE) 2003-05-14 EP disclosed
US-20020132813-A1 Heterocyclylalkylazole derivatives and their use as pesticides AVENTIS CROPSCIENCE GMBH (DE) 2002-09-19 US disclosed
WO-2002012229-A1 HETEROCYCLYLALKYL AZOLE DERIVATIVES AND USE THEREOF AS PESTICIDAL AGENTS BAYER CROPSCIENCE GMBH (DE) 2002-02-14 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 (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-20020132813-A1 Heterocyclylalkylazole derivatives and their use as pesticides DDT, ACHE, CYP1B1 PLAT 4783/4885S1PR1 4151/4885S1PR3 4146/4885
US-20040010145-A1 Heterocyclylalkylazole derivatives and their use as pesticides DDT, ACHE, CYP1B1 PLAT 4783/4885S1PR1 4151/4885S1PR3 4146/4885

“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.