SCHEMBL3436810

SCHEMBL3436810

CN(CC(F)(F)F)C1CCOC1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.40
POLB P06746 1/20 0.36
KDM4E B2RXH2 2/20 0.35
LMNA P02545 2/20 0.35
RAB9A P51151 2/20 0.35
GAA P10253 2/20 0.35
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
HSP90AA1 P07900 1/20 0.35
KMT2A Q03164 1/20 0.35
TRPV1 Q8NER1 1/20 0.30
ELOVL1 Q9BW60 1/20 0.30
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL4117080 0.77 PIK3CD (0.31) PIK3CD
SCHEMBL12326039 0.75
Hydrochloric Acid SCHEMBL15847474 0.74 CD38 (0.31) PIK3CD
SCHEMBL18873652 0.74
SCHEMBL771943 0.74
SCHEMBL15308457 0.72 PIK3CD (0.42) PIK3CDPOLBKDM4ELMNARAB9A
SCHEMBL27282469 0.72 PIK3CD (0.42) PIK3CDPOLBKDM4ELMNARAB9A
Trifluoroacetic Acid SCHEMBL28724718 0.72 HDAC1 (0.36) PIK3CDPOLBKDM4ELMNARAB9A
SCHEMBL2625903 0.71 PIK3CD (0.43) PIK3CDPOLBKDM4ELMNARAB9A
SCHEMBL12065407 0.71 HRH3 (0.41) POLBKDM4ELMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8163746-B2 Azolecarboxamide derivative ASTELLAS PHARMA INC. (JP) 2012-04-24 US disclosed
US-8163746-B2 Azolecarboxamide derivative ASTELLAS PHARMA INC. (JP) 2012-04-24 US disclosed
US-20090286766-A1 AZOLECARBOXAMIDE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2009-11-19 US disclosed
US-20090286766-A1 AZOLECARBOXAMIDE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2009-11-19 US disclosed
EP-2009005-A1 AZOLECARBOXAMIDE DERIVATIVE Astellas Pharma Inc. (JP) 2008-12-31 EP 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-20090286766-A1 AZOLECARBOXAMIDE DERIVATIVE GPR17, NTRK1, TRPV1 PIK3CD 874/4885POLB 4512/4885KDM4E 1834/4885

“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.