SCHEMBL15908182

SCHEMBL15908182

COc1ccc2[nH]c(C(F)(F)F)c(/C=C/C(=O)c3ccncc3)c2c1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIKFYVE Q9Y2I7 1/20 0.74
CYP1A1 P04798 9/20 0.51
CYP1B1 Q16678 9/20 0.51
CYP1A2 P05177 7/20 0.51
CYP2D6 P10635 7/20 0.51
MEN1 O00255 4/20 0.48
MAPT P10636 4/20 0.48
KMT2A Q03164 4/20 0.48
NPC1 O15118 1/20 0.48
ALDH1A1 P00352 1/20 0.48
RAB9A P51151 1/20 0.48
PSMD14 O00487 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
MAOB P27338 3/20 0.46
BCHE P06276 1/20 0.46
LMNA P02545 2/20 0.44
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
HPGD P15428 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL15908212 0.89 MAPT (0.61) PIKFYVECYP1A1CYP1B1CYP1A2MEN1
SCHEMBL13723992 0.85 PIKFYVE (1.00) PIKFYVECYP1A1CYP1B1CYP1A2CYP2D6
SCHEMBL13723990 0.85 PIKFYVE (1.00) PIKFYVECYP1A1CYP1B1CYP1A2CYP2D6
SCHEMBL30090615 0.85 PIKFYVE (1.00) PIKFYVECYP1A1CYP1B1CYP1A2CYP2D6
SCHEMBL30591068 0.85 PIKFYVE (1.00) PIKFYVECYP1A1CYP1B1CYP1A2CYP2D6
SCHEMBL16768707 0.83 PIKFYVE (0.77) PIKFYVECYP1A1CYP1B1CYP1A2CYP2D6
SCHEMBL16768704 0.82 PIKFYVE (0.75) PIKFYVECYP1A1CYP1B1CYP1A2CYP2D6
SCHEMBL15902385 0.82 PIKFYVE (0.75) PIKFYVECYP1A1CYP1B1CYP1A2CYP2D6
SCHEMBL16756048 0.82 PIKFYVE (0.75) PIKFYVECYP1A1CYP1B1CYP1A2CYP2D6
SCHEMBL15902386 0.82 PIKFYVE (0.75) PIKFYVECYP1A1CYP1B1CYP1A2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9061994-B1 Materials and methods useful to induce vacuolization, cell death, or a combination thereof THE UNIVERSITY OF TOLEDO (US) 2015-06-23 US disclosed
US-9061994-B1 Materials and methods useful to induce vacuolization, cell death, or a combination thereof THE UNIVERSITY OF TOLEDO (US) 2015-06-23 US disclosed
US-20150152049-A1 Materials And Methods Useful To Induce Vacuolization, Cell Death, Or A Combination Thereof THE UNIVERSITY OF TOLEDO (US) 2015-06-04 US disclosed
US-20150152049-A1 Materials And Methods Useful To Induce Vacuolization, Cell Death, Or A Combination Thereof THE UNIVERSITY OF TOLEDO (US) 2015-06-04 US disclosed
US-9023871-B2 Materials and Methods Useful to Induce Vacuolization, Cell Death, or a Combination Thereof THE UNIVERSITY OF TOLEDO (US) 2015-05-05 US disclosed
US-9023871-B2 Materials and Methods Useful to Induce Vacuolization, Cell Death, or a Combination Thereof THE UNIVERSITY OF TOLEDO (US) 2015-05-05 US disclosed
US-20140213615-A1 Materials and Methods Useful to Induce Vacuolization, Cell Death, or a Combination Thereof THE UNIVERSITY OF TOLEDO (US) 2014-07-31 US disclosed
US-20140213615-A1 Materials and Methods Useful to Induce Vacuolization, Cell Death, or a Combination Thereof THE UNIVERSITY OF TOLEDO (US) 2014-07-31 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 (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-20150152049-A1 Materials And Methods Useful To Induce Vacuolization, Cell Death, Or A Combination Thereof BECN1, BAD, BAX PIKFYVE 543/4885CYP1A1 4849/4885CYP1B1 4841/4885
US-20140213615-A1 Materials and Methods Useful to Induce Vacuolization, Cell Death, or a Combination Thereof BECN1, BAD, BAX PIKFYVE 543/4885CYP1A1 4849/4885CYP1B1 4841/4885

“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.