SCHEMBL16856989

SCHEMBL16856989

Nc1ccnc(C(F)(F)F)c1CO

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.47
HSD17B10 Q99714 1/20 0.47
NOS3 P29474 1/20 0.36
NOS2 P35228 1/20 0.36
LOXL2 Q9Y4K0 2/20 0.33
LOX P28300 1/20 0.33
LMNA P02545 3/20 0.32
TSHR P16473 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.31
KDM4E B2RXH2 1/20 0.31
MAPT P10636 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
SCHEMBL31214418 0.78 NOS2 (0.39) HTTHSD17B10NOS3NOS2LOXL2
SCHEMBL31214491 0.75 LMNA (0.39) HTTHSD17B10LMNATSHRSMN1; SMN2
SCHEMBL21722747 0.75 NCF1 (0.32) HTTHSD17B10NOS3NOS2LOXL2
SCHEMBL157196 0.74 HTT (0.50) HTTHSD17B10NOS3NOS2LOXL2
SCHEMBL31214552 0.74 DYRK1A (0.37) HTTHSD17B10LMNATSHRSMN1; SMN2
SCHEMBL16992858 0.72 HTT (0.49) HTTHSD17B10NOS3NOS2LOXL2
SCHEMBL24813513 0.71 NCF1 (0.32) NOS3NOS2
SCHEMBL9846997 0.71 NOS2 (0.38) HSD17B10NOS3NOS2LMNAKDM4E
Hydrochloric Acid SCHEMBL16992973 0.71 HTT (0.47) HTTHSD17B10NOS3NOS2LOXL2
SCHEMBL21598467 0.71 HTT (0.47) HTTHSD17B10NOS3NOS2LOXL2

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 3 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
CN-104755465-A Heterocyclic compounds TAKEDA PHARMACEUTICAL 2015-07-01 CN 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 HTT 3357/4885HSD17B10 356/4885NOS3 61/4885

“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.