SCHEMBL16697642

SCHEMBL16697642

NC(=NOC(=O)c1c(C(F)(F)F)cccc1C(F)(F)F)c1ccc2c(c1)OCO2

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 11/20 0.62
NPC1 O15118 10/20 0.62
MAPT P10636 9/20 0.62
SMN1; SMN2 Q16637 6/20 0.62
PKM P14618 3/20 0.62
KMT2A Q03164 2/20 0.62
POLB P06746 2/20 0.58
MEN1 O00255 1/20 0.58
LMNA P02545 2/20 0.58
ALDH1A1 P00352 2/20 0.58
CTNNB1 P35222 2/20 0.50
WNT3A P56704 2/20 0.50
L3MBTL1 Q9Y468 1/20 0.45
PTGS2 P35354 1/20 0.45
CCR2 P41597 1/20 0.42
MAPK1 P28482 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
SCHEMBL16697639 1.00 RAB9A (0.62) RAB9ANPC1MAPTSMN1; SMN2PKM
SCHEMBL16698331 0.88 CTNNB1 (0.60) RAB9ANPC1MAPTSMN1; SMN2PKM
SCHEMBL16698328 0.88 CTNNB1 (0.60) RAB9ANPC1MAPTSMN1; SMN2PKM
SCHEMBL16697641 0.80 CTNNB1 (0.50) RAB9ANPC1MAPTSMN1; SMN2PKM
SCHEMBL14027380 0.79 RAB9A (0.76) RAB9ANPC1MAPTSMN1; SMN2PKM
SCHEMBL16701199 0.78 RAB9A (0.72) RAB9ANPC1MAPTSMN1; SMN2PKM
SCHEMBL16701196 0.78 RAB9A (0.72) RAB9ANPC1MAPTSMN1; SMN2PKM
SCHEMBL16698355 0.75 RAB9A (0.63) RAB9ANPC1MAPTSMN1; SMN2PKM
SCHEMBL16698350 0.75 RAB9A (0.63) RAB9ANPC1MAPTSMN1; SMN2PKM
SCHEMBL16698155 0.74 RAB9A (0.61) RAB9ANPC1MAPTSMN1; SMN2PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150133495-A1 Substituted Acyloxyamidines as HCV NS3/4A Inhibitors VIROCURA THERAPEUTICS INC (CA) 2015-05-14 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 (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-20150133495-A1 Substituted Acyloxyamidines as HCV NS3/4A Inhibitors EIF2AK2, GTF3C4, GTF3C1 RAB9A 465/4885NPC1 922/4885MAPT 4607/4885

“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.