SCHEMBL6450672

SCHEMBL6450672

NN=C(N)c1ncccc1C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
CTNNB1 P35222 2/20 0.38
WNT3A P56704 2/20 0.38
MEN1 O00255 1/20 0.38
TNF P01375 1/20 0.38
CXCL8 P10145 1/20 0.38
KMT2A Q03164 1/20 0.38
PAX8 Q06710 1/20 0.38
KLF5 Q13887 1/20 0.38
NFE2L2 Q16236 3/20 0.36
EPHX2 P34913 1/20 0.36
CNR2 P34972 1/20 0.36
HCRTR1 O43613 1/20 0.36
HCRTR2 O43614 1/20 0.36
GRIN2D O15399 2/20 0.35
GRIN3B O60391 2/20 0.35
GRIN1 Q05586 2/20 0.35

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
SCHEMBL6454002 0.86 GAA (0.48) GAATDP1NPC1RAB9ACTNNB1
SCHEMBL6452633 0.81 GAA (0.43) GAATDP1NPC1RAB9ACTNNB1
SCHEMBL17984755 0.79 CNR2 (0.41) GAATDP1NPC1RAB9ACTNNB1
SCHEMBL1570557 0.79 CTNNB1 (0.45) GAATDP1CTNNB1WNT3ANFE2L2
SCHEMBL2439027 0.78 CTNNB1 (0.42) GAATDP1CTNNB1WNT3AMEN1
Hydrochloric Acid SCHEMBL25226224 0.77 CTNNB1 (0.44) GAATDP1CTNNB1WNT3ANFE2L2
Hydrochloric Acid SCHEMBL25174521 0.77 CNR2 (0.40) GAATDP1NPC1RAB9ACTNNB1
Trifluoroacetic Acid SCHEMBL23202684 0.75 L3MBTL1 (0.43) CTNNB1WNT3ANFE2L2CNR2HCRTR1
SCHEMBL1987669 0.74 NFE2L2 (0.43) GAACTNNB1WNT3AMEN1TNF
SCHEMBL6461091 0.74 RRM1 (0.39) MEN1KMT2ALMNA

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-20050075375-A1 Heterocyclic compounds for treating hepatitis C virus ANADYS PHARMACEUTICALS, INC. (US) 2005-04-07 US disclosed
WO-2004110351-A2 HETEROCYCLIC COMPOUNDS FOR TREATING HEPATITIS C VIRUS ANADYS PHARMACEUTICALS, INC. (US) 2004-12-23 WO 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-20050075375-A1 Heterocyclic compounds for treating hepatitis C virus HAVCR2, HCCS, LIPC GAA 519/4885TDP1 4550/4885NPC1 59/4885

“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.