SCHEMBL6454002

SCHEMBL6454002

NC(=NO)c1ncccc1C(F)(F)F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
TDP1 Q9NUW8 1/20 0.41
NPSR1 Q6W5P4 1/20 0.38
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 1/20 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

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
SCHEMBL6450672 0.86 GAA (0.44) GAANPC1RAB9ATDP1CTNNB1
SCHEMBL6452633 0.81 GAA (0.43) GAANPC1RAB9ATDP1CTNNB1
SCHEMBL26674983 0.79 KDM4E (0.44) GAANPC1RAB9ACTNNB1WNT3A
SCHEMBL30305710 0.79 KDM4E (0.44) GAANPC1RAB9ACTNNB1WNT3A
SCHEMBL17984755 0.79 CNR2 (0.41) GAANPC1RAB9ATDP1CTNNB1
SCHEMBL1570557 0.79 CTNNB1 (0.45) GAATDP1NPSR1CTNNB1WNT3A
SCHEMBL2332573 0.78 NPSR1 (0.38) GAANPC1RAB9ATDP1NPSR1
Hydrochloric Acid SCHEMBL25226224 0.77 CTNNB1 (0.44) GAATDP1NPSR1CTNNB1WNT3A
Hydrochloric Acid SCHEMBL25174521 0.77 CNR2 (0.40) GAANPC1RAB9ATDP1CTNNB1
SCHEMBL5222559 0.77 ADRA2A (0.37) GAANPC1RAB9ANPSR1CTNNB1

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 519/4885NPC1 59/4885RAB9A 2483/4885

“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.