SCHEMBL16856790

SCHEMBL16856790

COc1ccc(CNc2nccc(C(F)(F)F)c2C=O)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.47
USP1 O94782 2/20 0.46
WDR48 Q8TAF3 2/20 0.46
PTK2 Q05397 1/20 0.46
FABP4 P15090 1/20 0.43
CLK4 Q9HAZ1 1/20 0.43
TP53 P04637 1/20 0.42
MAPT P10636 1/20 0.42
KDM4E B2RXH2 1/20 0.42
ASPH Q12797 1/20 0.42
KDM8 Q8N371 1/20 0.42
EGFR P00533 1/20 0.42
POLB P06746 1/20 0.42
NR2F2 P24468 1/20 0.42
CCNB2 O95067 1/20 0.42
CDK1 P06493 1/20 0.42
CCNB1 P14635 1/20 0.42
CDK5 Q00535 1/20 0.42
CDK5R1 Q15078 1/20 0.42
CCNB3 Q8WWL7 1/20 0.42

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
SCHEMBL25804769 0.81 PTK2 (0.49) NPC1USP1WDR48PTK2FABP4
SCHEMBL312225 0.79 NPC1 (0.58) NPC1USP1WDR48PTK2TP53
SCHEMBL16856919 0.77 MAPT (0.52) NPC1USP1WDR48PTK2MAPT
SCHEMBL19641368 0.75 NPC1 (0.51) NPC1CLK4MAPTKDM4EASPH
SCHEMBL29849232 0.74 HTT (0.55) TP53MAPTKDM4EEGFRPOLB
SCHEMBL29060167 0.74 HTT (0.55) TP53MAPTKDM4EEGFRPOLB
SCHEMBL19641279 0.74 NPC1 (0.50) NPC1CLK4KDM4EASPHKDM8
SCHEMBL28085556 0.74 NPC1 (0.62) NPC1CLK4MAPTEGFRPOLB
SCHEMBL15538052 0.71 USP1 (0.53) USP1WDR48PTK2FABP4TP53
SCHEMBL30000151 0.71 PTK2 (0.49) USP1WDR48PTK2FABP4TP53

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 NPC1 1105/4885USP1 4466/4885WDR48 3188/4885

“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.