SCHEMBL16856841

SCHEMBL16856841

Nc1nccc(OCC(F)(F)F)c1C=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.42
ALDH1A1 P00352 4/20 0.42
KMT2A Q03164 3/20 0.42
KDM4E B2RXH2 2/20 0.42
ALOX15 P16050 2/20 0.42
HSD17B10 Q99714 2/20 0.42
MEN1 O00255 1/20 0.42
USP2 O75604 1/20 0.42
HSP90AA1 P07900 1/20 0.42
HSP90AB1 P08238 1/20 0.42
THRB P10828 1/20 0.42
G6PD P11413 1/20 0.42
CASP1 P29466 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
APP P05067 1/20 0.35
CYP17A1 P05093 3/20 0.34
TNK2 Q07912 1/20 0.34
HRH4 Q9H3N8 1/20 0.34
ATR Q13535 1/20 0.34
SCN9A Q15858 1/20 0.33

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
SCHEMBL5036347 0.78 MAPT (0.48) MAPTALDH1A1KMT2AKDM4EALOX15
SCHEMBL15335119 0.75 ERN1 (0.40) ALDH1A1KDM4ETSHRTDP1
SCHEMBL29954958 0.75 NOS3 (0.36) HSD17B10HRH4GLAGAATSHR
SCHEMBL27979595 0.75 NOS3 (0.36) HSD17B10HRH4GLAGAATSHR
SCHEMBL2123624 0.71 LTA4H (0.54) MAPTALDH1A1KMT2AKDM4EALOX15
SCHEMBL5113698 0.71 MEN1 (0.37) MAPTALDH1A1KMT2AKDM4EALOX15
SCHEMBL29953312 0.70 ROCK1 (0.36)
SCHEMBL6541804 0.70 TLR2 (0.40) MAPTALDH1A1KMT2AKDM4EALOX15
SCHEMBL27227418 0.69 ALDH1A1 (0.37) MAPTALDH1A1KMT2AKDM4EMEN1
SCHEMBL5218807 0.68 NPC1 (0.45) MAPTALDH1A1KMT2AKDM4EALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150299188-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-10-22 US disclosed
EP-2889291-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2015-07-01 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-20150299188-A1 HETEROCYCLIC COMPOUND PTGIS, LIPG, FEN1 MAPT 4856/4885ALDH1A1 640/4885KMT2A 3066/4885

“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.